Browse: Ligands

Entries beginning with 4
ID Name Formula Number Interacting Families Number Structures
400 3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMINO)-N-[(1R)-1-PHENYLPROPYL]-1H-THIENO[3,2-C]PYRAZOLE-5-CARBOXAMIDE C27 H30 N6 O2 S 1 1
401 (2S)-2-{3-[({[2-FLUORO-4-(TRIFLUOROMETHYL)PHENYL]CARBONYL}AMINO)METHYL]-4-METHOXYBENZYL}BUTANOIC ACID C21 H21 F4 N O4 1 1
403 (2R,3R)-4-[4-(2-CHLOROPHENYL)PIPERAZIN-1-YL]-2,3-DIHYDROXY-4-OXO-N-(2-THIOPHEN-2-YLETHYL)BUTANAMIDE C20 H24 CL N3 O4 S 1 1
404 (2R)-2-{[7-(BENZYLAMINO)-3-(PROPAN-2-YL)-1H-PYRAZOLO[4,3-D]PYRIMIDIN-5-YL]AMINO}BUTAN-1-OL C19 H26 N6 O 1 1
406 N-[3-(4,5'-BIPYRIMIDIN-2-YLAMINO)-4-METHYLPHENYL]-4-{[(3S)-3-(DIMETHYLAMINO)PYRROLIDIN-1-YL]METHYL}-3-(TRIFLUOROMETHYL)BENZAMIDE C30 H31 F3 N8 O 1 1
40A N-[(2S)-2-AMINOPROPYL]-N-[(6-AMINO-9H-PURIN-9-YL)ACETYL]GLYCINE C12 H17 N7 O3 0 0
40C N-[(4-AMINO-2-OXOPYRIMIDIN-1(2H)-YL)ACETYL]-N-[(2S)-2-AMINOPROPYL]GLYCINE C11 H17 N5 O4 0 0
40G N-[(2-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)ACETYL]-N-[(2S)-2-AMINOPROPYL]GLYCINE C12 H17 N7 O4 0 0
40T N-[(2S)-2-AMINOPROPYL]-N-[(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)ACETYL]GLYCINE C12 H18 N4 O5 0 0
410 4-BROMO-3-(CARBOXYMETHOXY)-5-{3-[CYCLOHEXYL(PHENYLCARBONYL)AMINO]PHENYL}THIOPHENE-2-CARBOXYLIC ACID C26 H24 BR N O6 S 1 1
411 3-BROMO-N-[4-[1-(2-CARBAMIMIDAMIDO-2-OXO-ETHYL)-5-PHENYL-PYRROL-2-YL]PHENYL]BENZAMIDE C26 H22 BR N5 O2 1 1
412 (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL)PHENETHYL)GUANIDINE C12 H18 B N3 O3 1 1
413 (S)-[(R)-2-(4-BENZYLOXY-3-METHOXY-PHENYL)-2-(4-CARBAMIMIDOYL-PHENYLAMINO)-ACETYLAMINO]-PHENYL-ACETIC ACID C31 H30 N4 O5 1 2
414 (5R,6R,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-5-CYCLOHEXYL-6-HYDROXY-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE C24 H31 N4 O7 P 1 1
415 1-{3-[(3-CHLORO-5-METHOXYBENZYL)AMINO]PROPYL}-3-PHENYLUREA C18 H22 CL N3 O2 0 0
416 (2S)-7-TERT-BUTYL-6-CHLORO-2-(TRIFLUOROMETHYL)-2H-CHROMENE-3-CARBOXYLIC ACID C15 H14 CL F3 O3 1 1
417 (1S,2R,5S)-5-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-2-(2,4,5-TRIFLUOROPHENYL)CYCLOHEXANAMINE C18 H19 F6 N5 2 1
418 2-{4-[2-(S)-ALLYLOXYCARBONYLAMINO-3-{4-[(2-CARBOXY-PHENYL)-OXALYL-AMINO]-PHENYL}-PROPIONYLAMINO]-BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER C34 H35 N3 O12 1 1
419 N-[(3AR,6S,6AS)-1-(N-METHYL-L-ALANYL-3-METHYL-L-VALYL)OCTAHYDROCYCLOPENTA[B]PYRROL-6-YL]-2,2-DIPHENYLACETAMIDE C31 H42 N4 O3 1 1
41A 5,5-DIMETHYL-2-MORPHOLIN-4-YL-5,6-DIHYDRO-1,3-BENZOTHIAZOL-7(4H)-ONE C13 H18 N2 O2 S 0 0
41L N-(1H-BENZIMIDAZOL-1-YL)-2-PHENYLACETAMIDE C15 H13 N3 O 1 1
420 N-[2-({[5-(DIMETHYLAMINO)NAPHTHALEN-1-YL]SULFONYL}AMINO)ETHYL]-2-IODOACETAMIDE C16 H20 I N3 O3 S 2 2
421 6-CARBAMIMIDOYL-4-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-NAPHTHALENE-2-CARBOXYLIC ACID METHYL ESTER C21 H19 N3 O4 1 1
422 3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)-1H-INDAZOLE-6-CARBONITRILE C23 H24 N6 1 1
424 (2S,4R)-1-[1-(4-CHLOROPHENYL)CYCLOPROPYL]CARBONYL-4-(2-CHLOROPHENYL)SULFONYL-N-[1-(IMINOMETHYL)CYCLOPROPYL]PYRROLIDINE-2-CARBOXAMIDE C25 H25 CL2 N3 O4 S 1 2
426 6-[(Z)-AMINO(IMINO)METHYL]-N-[3-(CYCLOPENTYLOXY)PHENYL]-2-NAPHTHAMIDE C23 H23 N3 O2 1 1
427 (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL)PHENYL)GUANIDINE C10 H14 B N3 O3 1 1
428 2-(1-METHYLETHYL)IMIDAZO[1,2-B]PYRIDAZIN-6-OL C9 H11 N3 O 1 1
429 2-{4-[2-ACETYLAMINO-3-(4-CARBOXYMETHOXY-3-HYDROXY-PHENYL)-PROPIONYLAMINO]-BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER C25 H30 N2 O10 1 1
42B 4-AMINO-2-HYDROXYBUTANOIC ACID C4 H9 N O3 0 0
42C N,N-DIMETHYL-7H-PURIN-6-AMINE C7 H9 N5 1 3
42D 3,5-DIDEOXY-5-[(METHOXYCARBONYL)AMINO]-D-GLYCERO-ALPHA-D-GALACTO-NON-2-ULOPYRANOSONIC ACID C11 H19 N O10 1 1
42K (8Z)-8-{[(2,2-DIOXIDO-1,3-DIHYDRO-2-BENZOTHIOPHEN-5-YL)AMINO]METHYLIDENE}-6,8-DIHYDRO-7H-[1,3]THIAZOLO[5,4-E]INDOL-7-ONE C14 H11 N7 O3 S 0 0
42M {4-[4-(HYDROXYMETHYL)-2-METHOXYPHENOXY]BENZENE-1,3-DIYL}BIS[HYDROXY(OXO)AMMONIUM] C14 H14 N2 O7 2 1 1
42Q 1-{2-FLUORO-4-[(5-METHYL-5H-PYRROLO[3,2-D]PYRIMIDIN-4-YL)OXY]PHENYL}-3-[3-(TRIFLUOROMETHYL)PHENYL]UREA C21 H15 F4 N5 O2 1 1
42Z N-[(5,6-DICHLORO-1H-BENZIMIDAZOL-2-YL)CARBONYL]GLYCINE C10 H7 CL2 N3 O3 1 1
430 5-(1H-BENZIMIDAZOL-1-YL)-3-{(1R)-1-[2-(TRIFLUOROMETHYL)PHENYL]ETHOXY}THIOPHENE-2-CARBOXAMIDE C21 H16 F3 N3 O2 S 1 1
431 2-(4-METHYLPHENYL)-4H-CHROMEN-4-ONE C16 H12 O2 1 1
433 2-(4-{3-[1-[2-(2-CHLORO-6-FLUORO-PHENYL)-ETHYL]-3-(2,3-DICHLORO-PHENYL)-UREIDO]-PROPYL}-PHENOXY)-2-METHYL-PROPIONIC ACID C28 H28 CL3 F N2 O4 1 1
434 SPIRO[3-CARBOXY-4-{(4-[1,2,3]THIADIAZOL-4-YL-PHENYL)-AMINO-CARBONYL} -5-[3,4-DICHLORO-PHENYL]-TETRAHYDROFURAN-2,2'-5-METHYL-INDAN-1,3-DIONE] C29 H19 CL2 N3 O6 S 1 1
437 1-{3-TERT-BUTYL-1-[4-(HYDROXYMETHYL)PHENYL]-1H-PYRAZOL-5-YL}-3-NAPHTHALEN-1-YLUREA C25 H26 N4 O2 1 1
438 2-[(6-{[3'-(AMINOMETHYL)BIPHENYL-3-YL]OXY}-4-[(3R)-3-(DIMETHYLAMINO)PYRROLIDIN-1-YL]-3,5-DIFLUOROPYRIDIN-2-YL)OXY]-4-(DIMETHYLAMINO)BENZOIC ACID C33 H35 F2 N5 O4 1 1
439 6-CHLORO-N-{(3S)-1-[(1S)-1-(DIMETHYLAMINO)-2,3-DIHYDRO-1H-INDEN-5-YL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE C25 H26 CL N3 O3 S 1 1
43A (3Z)-6-(4-HYDROXY-3-METHOXYPHENYL)-3-(1H-PYRROL-2-YLMETHYLENE)-1,3-DIHYDRO-2H-INDOL-2-ONE C20 H16 N2 O3 1 1
43B 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE C36 H30 N4 O5 S3 1 4
43E 1-{3-[(3,5-DICHLOROBENZYL)AMINO]PROPYL}-3-THIOPHEN-3-YLUREA C15 H17 CL2 N3 O S 0 0
43F 2,4-DICHLORO-1-[4-(CHLOROMETHYL)-2-METHOXYPHENOXY]BENZENE C14 H11 CL3 O2 1 1
43M 4-CHLORO-3-METHYLPHENOL C7 H7 CL O 1 1
43P 4-(1H-IMIDAZOL-4-YL)-3-(5-ETHYL-2,4-DIHYDROXY-PHENYL)-1H-PYRAZOLE C14 H14 N4 O2 1 1
440 3-{[4-(BUT-2-YN-1-YLOXY)PHENYL]SULFONYL}PROPANE-1-THIOL C13 H16 O3 S2 1 1
442 2-[3,5-DIBROMO-4-(4-HYDROXY-3-{HYDROXY[(2-PHENYLETHYL)AMINO]METHYL}PHENOXY)PHENYL]ETHANE-1,1-DIOL C23 H23 BR2 N O5 1 1
443 1-(1-{(2S)-3-[(6-CHLORONAPHTHALEN-2-YL)SULFONYL]-2-HYDROXYPROPANOYL}PIPERIDIN-4-YL)TETRAHYDROPYRIMIDIN-2(1H)-ONE C22 H26 CL N3 O5 S 1 1
444 N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE C17 H12 F9 N O3 S 1 5
445 N-[OXO(PHENYLAMINO)ACETYL]-BETA-D-GLUCOPYRANOSYLAMINE C14 H18 N2 O7 1 1
446 4-[(4-{[6-BROMO-3-(METHOXYCARBONYL)-1-OXO-4-PHENYLISOQUINOLIN-2(1H)-YL]METHYL}PHENYL)AMINO]-4-OXOBUTANOIC ACID C28 H23 BR N2 O6 1 1
447 N-(4-{[6-METHOXY-7-(3-MORPHOLIN-4-YLPROPOXY)QUINAZOLIN-4-YL]AMINO}PHENYL)BENZAMIDE C29 H31 N5 O4 1 1
448 (2R)-4-[(8R)-8-METHYL-2-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRAZIN-7(8H)-YL]-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE C17 H17 F6 N5 O 2 1
44B 1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-2-OL C11 H8 F9 N O 1 1
44C 4'-(4-{4-[(2-CARBOXYPHENYL)AMINO]PHENOXY}BUTOXY)-1,1'-BIPHENYL-4-CARBOXYLIC ACID C30 H27 N O6 1 1
44D 7-[5-(4-AMINO-5-HYDROXY-6-METHYL-TETRAHYDRO-PYRAN-2-YLOXY)-4-HYDROXY-6-METHYL-TETRAHYDRO-PYRAN-2-YLOXY]-6,9,11-TRIHYDROXY-9-(2-HYDROXY-ACETYL)-7,8,9,10-TETRAHYDRO-NAPHTHACENE-5,12-DIONE C32 H37 N O13 0 0
44F 1-{3-[(3-CHLORO-5-METHOXYBENZYL)AMINO]PROPYL}-3-THIOPHEN-3-YLUREA C16 H20 CL N3 O2 S 0 0
44P 5'-O-[(S)-HYDROXY(PHOSPHONOMETHYL)PHOSPHORYL]URIDINE C10 H16 N2 O11 P2 1 1
44U BETA-PHENYL-D-PHENYLALANYL-N-PROPYL-L-PROLINAMIDE C23 H29 N3 O2 1 1
451 N-(6,7,9,10,17,18,20,21-OCTAHYDRODIBENZO[B,K][1,4,7,10,13,16]HEXAOXACYCLOOCTADECIN-2-YL)ACETAMIDE C22 H27 N O7 1 1
452 2-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACID C17 H14 CL F N2 O4 1 1
454 8,8-DIPHENYL-2,3,4,8-TETRAHYDROIMIDAZO[1,5-A]PYRIMIDIN-6-AMINE C18 H18 N4 1 1
455 (3R,4R)-1-SULFAMOYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE} C23 H21 CL F N5 O5 S 1 1
458 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-8-METHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL C16 H20 O3 1 1
459 4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL C17 H24 O3 1 1
45B 4-{[2-({4-[2-(4-ACETYLPIPERAZIN-1-YL)-2-OXOETHYL]PHENYL}AMINO)-5-FLUOROPYRIMIDIN-4-YL]AMINO}-N-(2-CHLOROPHENYL)BENZAMIDE C31 H29 CL F N7 O3 1 1
45C 4,5-DICHLOROBENZENE-1,2-DIOL C6 H4 CL2 O2 1 1
45K (8Z)-8-{[(2,2-DIOXIDO-1,3-DIHYDRO-2-BENZOTHIOPHEN-5-YL)AMINO]METHYLIDENE}-6,8-DIHYDRO-7H-[1,3]THIAZOLO[5,4-E]INDOL-7-ONE C18 H13 N3 O3 S2 0 0
45P 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-N-(3,5-DICHLOROBENZYL)-BENZAMIDE C18 H13 CL2 N7 O2 1 1
45U (S)-N-(4-CARBAMIMIDOYLBENZYL)-1-(2-(CYCLOPENTYLOXY)ETHANOYL)PYRROLIDINE-2-CARBOXAMIDE C20 H28 N4 O3 1 2
460 2-[5-(6-METHYLPYRIDIN-2-YL)-2,3-DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE C17 H15 N5 1 1
461 (E)-2-(5-CHLOROTHIOPHEN-2-YL)-N-[(3S)-1-{4-[(1R)-1-(DIMETHYLAMINO)ETHYL]-2-FLUOROPHENYL}-2-OXOPYRROLIDIN-3-YL]ETHENESULFONAMIDE C20 H23 CL F N3 O3 S2 1 1
462 N-[AMINO(IMINO)METHYL]-2-[2-(2-CHLOROPHENYL)-4-(4-PROPOXYPHENYL)-3-THIENYL]ACETAMIDE C22 H22 CL N3 O2 S 1 1
464 3-[5-({5-[(AMINOCARBONYL)AMINO]-2-OXO-2H-INDOL-3-YL}METHYL)-1H-PYRROL-3-YL]-N-(2-PIPERIDIN-1-YLETHYL)BENZAMIDE C28 H30 N6 O3 1 1
465 8-AMINO-7-CHLORO-1-METHYL-6-(METHYLIDENEAMINO)-2-OXO-1,2-DIHYDROPYRROLO[4,3,2-DE]QUINOLINE-4-CARBOXAMIDE C13 H10 CL N5 O2 1 1
468 (3S)-N-(3-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE C18 H23 CL N2 O2 1 1
469 2-(6-CHLORO-5-{[(2R,5S)-4-(4-FLUOROBENZYL)-2,5-DIMETHYLPIPERAZIN-1-YL]CARBONYL}-1-METHYL-1H-INDOL-3-YL)-N,N-DIMETHYL-2-OXOACETAMIDE C27 H30 CL F N4 O3 1 2
46A N-BUTYL-4,6-DIMETHYL-N-{[2'-(2H-TETRAZOL-5-YL)BIPHENYL-4-YL]METHYL}PYRIMIDIN-2-AMINE C24 H27 N7 1 1
46B {4-[6-BROMO-3-(BUTYLAMINO)IMIDAZO[1,2-A]PYRIDIN-2-YL]PHENOXY}ACETIC ACID C19 H20 BR N3 O3 1 1
46C 4-[(6-CHLORO-1-OXO-4-PHENYL-3-PROPANOYLISOQUINOLIN-2(1H)-YL)METHYL]BENZOIC ACID C26 H20 CL N O4 1 1
46D (4AR,6R,7S,8R,8AR)-8-((5R,6R)-3-CARBOXY-TETRAHYDRO-4,5,6-TRIHYDROXY-2H-PYRAN-2-YLOXY)-HEXAHYDRO-6,7-DIHYDROXY-2-METHYLPYRANO[3,2-D][1,3]DIOXINE-2-CARBOXYLIC ACID) C15 H22 O14 2 1
46F (2R)-4-(6-CHLOROPYRIDAZIN-3-YL)-N-(4-METHOXYBENZYL)-1-{[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}PIPERAZINE-2-CARBOXAMIDE C24 H23 CL F3 N5 O5 S 1 1
46K N-[(4-{[(Z)-(7-OXO-6,7-DIHYDRO-8H-[1,3]THIAZOLO[5,4-E]INDOL-8-YLIDENE)METHYL]AMINO}PHENYL)SULFONYL]ACETAMIDE C18 H14 N4 O4 S2 0 0
46M (4AR,6R,7S,8R,8AS)-HEXAHYDRO-6,7,8-TRIHYDROXY-2-METHYLPYRANO[3,2-D][1,3]DIOXINE-2-CARBOXYLIC ACID C9 H14 O8 2 1
46U (S)-N-(4-CARBAMIMIDOYLBENZYL)-1-(2-(CYCLOHEXYLOXY)ETHANOYL)PYRROLIDINE-2-CARBOXAMIDE C21 H30 N4 O3 1 2
46Z (2R,3R,4S,5S)-4-FLUORO-3,5-DIHYDROXYTETRAHYDROFURAN-2-YL 2-PHENYLETHYL HYDROGEN (S)-PHOSPHATE C12 H16 F O7 P 1 1
470 (3AS,6AR)-5-[(4E)-OCT-4-EN-4-YL]-N,4-DIPHENYL-2,3,6,6A-TETRAHYDROPENTALEN-3A(1H)-AMINE C28 H35 N 1 1
471 N-((2S)-2-({(1Z)-1-METHYL-3-OXO-3-[4-(TRIFLUOROMETHYL) PHENYL]PROP-1-ENYL}AMINO)-3-{4-[2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL)PROPANAMIDE C35 H36 F3 N3 O4 1 1
472 (5S)-2-AMINO-3-METHYL-5-PYRIDIN-4-YL-5-(3-PYRIDIN-3-YLPHENYL)-3,5-DIHYDRO-4H-IMIDAZOL-4-ONE C20 H17 N5 O 1 1
474 (2S,3S)-3-AMINO-4-(3,3-DIFLUOROPYRROLIDIN-1-YL)-N,N-DIMETHYL-4-OXO-2-(TRANS-4-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-6-YLCYCLOHEXYL)BUTANAMIDE C22 H30 F2 N6 O2 1 1
475 N-[OXO(PYRIDIN-2-YLAMINO)ACETYL]-BETA-D-GLUCOPYRANOSYLAMINE C13 H17 N3 O7 1 1
477 3-{2-[5-(DIFLUOROMETHYL)-2H-THIENO[3,2-C]PYRAZOL-3-YL]-1H-INDOL-6-YL}PENTAN-3-OL C19 H19 F2 N3 O S 1 2
478 {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER C25 H35 N3 O6 S 1 18
47C 2'-DEOXY-N-(PROP-2-EN-1-YLOXY)CYTIDINE 5'-(DIHYDROGEN PHOSPHATE) C12 H18 N3 O8 P 1 1
47D {3-[(5-CHLORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL}ACETIC ACID C14 H10 CL N3 O4 S 1 4
47N NEOAGAROBIOSE C12 H20 O10 1 1
47X 3-(3,4-DIHYDROXYPHENYL)-7-HYDROXY-4H-CHROMEN-4-ONE C15 H10 O5 1 1
484 3-(5'-{2-[3,4-BIS(HYDROXYMETHYL)PHENYL]ETHYL}-2'-METHYL-2-PROPYLBIPHENYL-4-YL)PENTAN-3-OL C31 H40 O3 1 1
485 [2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]- (3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDRO-PYRAN-2-YL)- ACETIC ACID C17 H24 N2 O8 1 1
486 11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE C29 H35 N O2 1 4
488 (2R,4R)-2-[(4R)-2-(2-HYDROXYPHENYL)-4,5-DIHYDRO-1,3-THIAZOL-4-YL]-3-METHYL-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID C14 H16 N2 O3 S2 1 1
48B 2-CHLORO-N-[4-({5-FLUORO-2-[(4-HYDROXYPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)PHENYL]BENZAMIDE C23 H17 CL F N5 O2 1 1
48K N-[2-(DIMETHYLAMINO)ETHYL]-4-{[(Z)-(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE C19 H22 N4 O3 S 0 0
48T L-GAMMA-GLUTAMYL-S-(2-BIPHENYL-4-YL-2-OXOETHYL)-L-CYSTEINYLGLYCINE C24 H27 N3 O7 S 1 1
48Z 2-DEOXY-2-FLUORO-5-O-THIOPHOSPHONO-ALPHA-D-ARABINOFURANOSE C5 H10 F O6 P S 1 1
492 1-(2,2'-BITHIOPHEN-5-YL)METHANAMINE C9 H9 N S2 1 1
493 {4-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-PHOSPHONO-PHENOXY}-ACETIC ACID C32 H36 N3 O9 P 1 1
494 (2E)-3-(3-CHLORO-5-{4-CHLORO-2-[2-(2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)ETHOXY]PHENOXY}PHENYL)PROP-2-ENENITRILE C21 H15 CL2 N3 O4 1 1
495 4-CHLOROPHTHALAZIN-1(2H)-ONE C8 H5 CL N2 O 1 1
496 2-({[4-(HYDROXYMETHYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]ACETYL}AMINO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE C16 H17 F3 N4 O3 S 1 1
497 6-[AMINO(IMINO)METHYL]-N-[(4R)-4-ETHYL-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL]-2-NAPHTHAMIDE C23 H24 N4 O 1 1
498 P-(5-RUTHENOCENYL-1H-1,2,3-TRIAZOL-1-YL)BENZENESULFONAMIDE C18 H8 N4 O2 RU S 1 1
49A 4,9-AMINO-2,4-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID C11 H19 N3 O6 1 1
49U (S)-N-(4-CARBAMIMIDOYLBENZYL)-1-(3-CYCLOPENTYLPROPANOYL)PYRROLIDINE-2-CARBOXAMIDE C21 H30 N4 O2 1 2
4A2 (2E)-2-(3-FLUORANYL-4-METHOXY-PHENYL)IMINO-1-[[2-(TRIFLUOROMETHYL)PHENYL]METHYL]-3H-BENZIMIDAZOLE-5-CARBOXYLIC ACID C23 H17 F4 N3 O3 1 1
4A3 4-AMINO-3-HYDROXYBENZOIC ACID C7 H7 N O3 1 1
4AA 4-CHLORO-3-HYDROXYANTHRANILIC ACID C7 H6 CL N O3 1 2
4AB 2,4-DIAMINO-6-[2,3-DIHYDROXY-PROP-3-YL]-5,6,7,8-TETRAHYDROPTERIDINE C9 H16 N6 O2 1 1
4AD 4-AMINO-1,4-DIOXOBUTAN-2-AMINIUM ADENOSINE-5'-MONOPHOSPHATE C14 H21 N7 O9 P 1 1 2
4AF 4-ACETYL-L-PHENYLALANINE C11 H13 N O3 2 2
4AG (2R)-3-HYDROXYPROPANE-1,2-DIYL DIHEXADECANOATE C35 H68 O5 1 1
4AH {(1S)-1-[N'-[(2S)-2-HYDROXY-2-((1S,2R)-2-HYDROXY-INDAN-1-YLCARBAMOYL)-3-PHENYL-PROPYL]-N'-[4-(PYRIDINE-2-YL)-BENZYL]-HYDRAZINOCARBONYL]-2,2-DIMETHYL-PROPYL}-CARBAMIC ACID METHYL ESTER C39 H45 N5 O6 1 1
4AL [4-(AMINOMETHYL)PHENYL]METHANOL C8 H11 N O 1 1
4AM 4-AMINO-2-DEOXY-2,3-DEHYDRO-N-NEURAMINIC ACID C11 H18 N2 O7 1 2
4AN 6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-DIONE C12 H8 N2 O2 1 1
4AP 4-AMINOPYRIDINE C5 H7 N2 1 2 2
4AT 5-OXOHEXANOIC ACID C6 H10 O3 1 1
4AU 1H-BENZIMIDAZOL-2-YL(1H-PYRROL-2-YL)METHANONE C12 H9 N3 O 1 1
4AW 4-AZATRYPTOPHAN C10 H11 N3 O2 1 1
4AX (R)-4-AMINO-ISOXAZOLIDIN-3-ONE C3 H6 N2 O2 4 2
4AZ 4-(AMINOMETHYL)BENZOIC ACID C8 H9 N O2 1 1
4B0 3-(4,5,6,7-TETRABROMO-1H-BENZOTRIAZOL-1-YL)PROPAN-1-OL C9 H7 BR4 N3 O 1 2
4B3 4-BROMO-3-(CARBOXYMETHOXY)-5-{3-[(3,3,5,5-TETRAMETHYLCYCLOHEXYL)AMINO]PHENYL}THIOPHENE-2-CARBOXYLIC ACID C23 H28 BR N O5 S 1 1
4BB 4-TERT-BUTYL-N'-[(1E)-(3,5-DIBROMO-2,4-DIHYDROXYPHENYL)METHYLIDENE]BENZOHYDRAZIDE C18 H18 BR2 N2 O3 1 1
4BC 4-(1,3-BENZODIOXOL-5-YL)-5-(5-ETHYL-2,4-DIHYDROXYPHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID C19 H16 N2 O6 1 2
4BD 5'-O-[(S)-{DIFLUORO[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]METHYL}(HYDROXY)PHOSPHORYL]THYMIDINE C11 H17 F2 N2 O13 P3 1 1
4BE 4-BROMO-N'-[(1E)-(3,5-DIBROMO-2,4-DIHYDROXYPHENYL)METHYLIDENE]BENZOHYDRAZIDE C14 H9 BR3 N2 O3 1 1
4BF 4-BROMO-L-PHENYLALANINE C9 H10 BR N O2 1 1
4BG N-[4-(BENZYLOXY)PHENYL]GLYCINAMIDE C15 H16 N2 O2 1 1
4BH 4-CHLORO-6-(4-PIPERAZIN-1-YL-1H-PYRAZOL-5-YL)BENZENE-1,3-DIOL C13 H15 CL N4 O2 1 1
4BL 6-METHYL-1H-INDOLE-2-CARBOXYLIC ACID C10 H9 N O2 1 1
4BM N-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}-3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]BENZAMIDE C16 H14 F3 I N2 O4 1 1
4BO (3S)-3-AMINO-4-OXO-4-[(4-PHENYLMETHOXYPHENYL)AMINO]BUTANOIC ACID C17 H18 N2 O4 1 1
4BP 4,4'-BIS(BROMOMETHYL)BIPHENYL C14 H12 BR2 0 0
4BQ (2S)-2-AMINO-5-OXO-5-[(4-PHENYLMETHOXYPHENYL)AMINO]PENTANOIC ACID C18 H20 N2 O4 1 1
4BR 2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE C9 H12 O3 P -1 2 1
4BS 4-AMINO-N-[4-(BENZYLOXY)PHENYL]BUTANAMIDE C17 H20 N2 O2 1 1
4BT 2-{2-[4-(2-CARBAMIMIDOYLSULFANYL-ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA C12 H18 N4 S2 1 1
4BU (2S)-2-AMINO-5-[[4-[(2S)-2-HYDROXY-2-PHENYL-ETHOXY]PHENYL]AMINO]-5-OXO-PENTANOIC ACID C19 H22 N2 O5 1 1
4BX 3-(1H-BENZIMIDAZOL-2-YL)PROPANOIC ACID C10 H10 N2 O2 1 1
4BY 5-METHYL-1H-INDOLE-2-CARBOXYLIC ACID C10 H9 N O2 1 1
4BZ 4-(HYDROXYMETHYL)BENZAMIDINE C8 H10 N2 O 1 1
4C0 3-(1H-BENZIMIDAZOL-2-YL)-N-(3-PHENYLPROPANOYL)-D-ALANINE C19 H19 N3 O3 1 1
4CA 4-HYDROXYBENZYL COENZYME A C28 H42 N7 O17 P3 S 1 2
4CB 4-CARBOXYPHENYLBORONIC ACID C7 H7 B O4 1 1
4CD 4-CHLORO-6-{[(2R)-2-(2-METHYLPHENYL)PYRROLIDIN-1-YL]CARBONYL}BENZENE-1,3-DIOL C18 H18 CL N O3 1 1
4CF 4-CYANO-L-PHENYLALANINE C10 H10 N2 O2 2 2
4CH 4-CHLOROPHENOL C6 H5 CL O 2 3
4CK 4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)CARBAMOYL]BENZOIC ACID C14 H13 N3 O3 0 0
4CL 4-CHLOROBENZENE-1,2-DIOL C6 H5 CL O2 2 1
4CM (4-CARBAMIMIDOYLPHENYL)-METHYL-PHOSPHINIC ACID C8 H11 N2 O2 P 1 1
4CO 4-HYDROXYPHENACYL COENZYME A C29 H42 N7 O18 P3 S 1 10
4CP 2-[2-(4-CHLORO-PHENYLSULFANYL)-ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)-PROPIONAMIDE C18 H20 CL N5 O2 S 1 1
4CR (1R)-4-({[ETHYL(METHYL)AMINO]CARBONYL}OXY)-N-METHYL-N-[(1E)-PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM C17 H23 N2 O2 1 1 1
4CS (4S)-2-METHYL-1,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID C6 H10 N2 O2 3 4
4CT (3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-{[(4-CHLOROPHENYL)SULFANYL]METHYL}PYRROLIDIN-3-OL C18 H20 CL N5 O S 1 3
4CY 1 1
4D7 3-(1H-BENZIMIDAZOL-2-YL)-N-[(2-METHYLFURAN-3-YL)CARBONYL]-D-ALANINE C16 H15 N3 O4 1 1
4D9 3-(1H-BENZIMIDAZOL-2-YL)-N-(1-BENZOTHIOPHEN-2-YLCARBONYL)-D-ALANINE C19 H15 N3 O3 S 1 1
4DB (2S)-2-AMINO-4-[5-(DIMETHYLAMINO)-1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL]BUTANOIC ACID C14 H17 N3 O4 0 0
4DC (2R)-3-CYCLOPENTYL-2-[4-(METHYLSULFONYL)PHENYL]-N-(1,3-THIAZOL-2-YL)PROPANAMIDE C18 H22 N2 O3 S2 1 1
4DE 1-(4-METHOXYPHENYL)-3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER C15 H18 N2 O3 1 1
4DG 2-[(2-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)METHOXY]ETHYL DIHYDROGEN PHOSPHATE C8 H12 N5 O6 P 1 2
4DH 3-(1H-BENZIMIDAZOL-2-YL)-N-[(1-METHYL-3-PHENYL-1H-PYRAZOL-5-YL)CARBONYL]-D-ALANINE C21 H19 N5 O3 1 1
4DI 4-(DIMETHYLAMINO)BUTYL IMIDOTHIOCARBAMATE C7 H17 N3 S 1 1
4DM (4AS,12AS)-3,10,11,12A-TETRAHYDROXY-6-METHYL-1,12-DIOXO-1,4,4A,5,12,12A-HEXAHYDROTETRACENE-2-CARBOXAMIDE C20 H17 N O7 1 1
4DU 1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-1H-IMIDAZO[4,5-C]PYRIDIN-4-AMINE C11 H15 N4 O6 P 2 2
4DX (1S,2S)-2-METHYLCYCLOHEXANOL C7 H14 O 1 2
4E6 (4E,6E)-HEXADECA-1,4,6-TRIENE C16 H28 0 0
4EA (1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE C23 H22 N4 O 1 1
4EB 4-({2-[(2,4-DIMETHYLPHENYL)SULFANYL]ETHYL}AMINO)-N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-3-NITROBENZENESULFONAMIDE C29 H26 F N3 O5 S2 1 1
4F3 1 1
4F8 2-PHENYL-1H-IMIDAZOLE-4,5-DICARBOXYLIC ACID C11 H8 N2 O4 1 1
4FA 4-FLUOROPHENETHYL ALCOHOL C8 H9 F O 1 1
4FB (4S)-4-FLUORO-L-PROLINE C5 H8 F N O2 2 2
4FC 4'-FLUORO-1,1'-BIPHENYL-4-CARBOXYLIC ACID C13 H9 F O2 1 1
4FE (2E)-3-(3-HYDROXY-4-METHOXYPHENYL)PROP-2-ENOIC ACID C10 H10 O4 1 1
4FF 5-METHYL-2-PHENYL-1H-IMIDAZOLE-4-CARBOXYLIC ACID C11 H10 N2 O2 1 1
4FI (2R)-2-[(2-METHYL-5-PHENYL-PYRAZOL-3-YL)CARBONYLAMINO]-3-NAPHTHALEN-2-YL-PROPANOIC ACID C24 H21 N3 O3 1 1
4FJ 1'-[7-FLUORO-3-METHYL-2-(PYRIDIN-2-YL)QUINOLIN-4-YL]-6'-(MORPHOLIN-4-YL)-1',2,2',3,5,6-HEXAHYDROSPIRO[PYRAN-4,3'-PYRROLO[3,2-B]PYRIDINE] C30 H30 F N5 O2 1 1
4FP 4-(4-FLUOROBENZYL)PIPERIDINE C12 H16 F N 1 1
4FR 3'-CHLORO-5'-[6-({2-METHOXY-4-[(1-METHYLPIPERIDIN-4-YL)CARBAMOYL]PHENYL}AMINO)-3-METHYL-1H-PYRAZOLO[4,3-C]PYRIDIN-1-YL]BIPHENYL-2-CARBOXAMIDE C34 H34 CL N7 O3 1 1
4FW 4-FLUOROTRYPTOPHANE C11 H11 F N2 O2 2 2
4FY 4-(MORPHOLIN-4-YLCARBONYL)-2-PHENYL-1H-IMIDAZOLE-5-CARBOXYLIC ACID C15 H15 N3 O4 1 1
4FZ 4-FORMYLBENZENECARBOXIMIDAMIDE C8 H8 N2 O 1 2
4G2 2-(3-CHLORO-PHENYL)-5-METHYL-1H-IMIDAZOLE-4-CARBOXYLIC ACID C11 H9 CL N2 O2 1 1
4G5 4-[(2-AMINO-2-OXOETHYL)(METHYL)CARBAMOYL]-2-PHENYL-1H-IMIDAZOLE-5-CARBOXYLIC ACID C14 H14 N4 O4 1 1
4G8 4-[BENZYL(CARBOXYMETHYL)CARBAMOYL]-2-PHENYL-1H-IMIDAZOLE-5-CARBOXYLIC ACID C20 H17 N3 O5 1 1
4GA 1-BUTYL-3-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)-1H-IMIDAZOL-3-IUM C9 H19 N2 O7 P2 1 1 1
4GE 5-[BENZYL(METHYL)CARBAMOYL]-2-(3-CHLOROPHENYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID C19 H16 CL N3 O3 1 1
4GH N-{(2S,3R)-1-[(4-DEOXY-ALPHA-D-XYLO-HEXOPYRANOSYL)OXY]-3-HYDROXYOCTADECAN-2-YL}HEXACOSANAMIDE C50 H99 N O7 1 1
4GI HYDROXY(OXO)[3-({(2S)-2-[(3-PHENYLPROPOXY)CARBONYL]PIPERIDIN-1-YL}SULFONYL)PHENYL]AMMONIUM C21 H24 N2 O6 S 1 1
4GP N-(BETA-D-GLUCOPYRANOSYL)OXAMIC ACID C8 H13 N O8 1 1
4GW 5-(5-FORMYLTHIOPHEN-2-YL)URIDINE 5'-(TRIHYDROGEN DIPHOSPHATE) C14 H16 N2 O13 P2 S 1 3
4H0 (3S)-3-AMINO-4-OXO-5-(2,3,5,6-TETRAFLUOROPHENOXY)PENTANOIC ACID C11 H9 F4 N O4 0 0
4HA 4-HYDROXYBUTAN-1-AMINIUM C4 H12 N O 1 2 2
4HB 4,4'-DIHYDROXYBIPHENYL C12 H10 O2 1 1
4HC 4-HYDROXY-2H-CHROMEN-2-ONE C9 H6 O3 1 1
4HD (4S,5E,7Z,10Z,13Z,16Z,19Z)-4-HYDROXYDOCOSA-5,7,10,13,16,19-HEXAENOIC ACID C22 H32 O3 1 1
4HF N-[(5-{2-[(6R)-2-AMINO-4-OXO-3,4,5,6,7,8-HEXAHYDROPYRIDO[2,3-D]PYRIMIDIN-6-YL]ETHYL}-2-THIENYL)CARBONYL]-L-GLUTAMIC ACID C19 H23 N5 O6 S 1 1
4HG N-[(4-HYDROXY-8-IODOISOQUINOLIN-3-YL)CARBONYL]GLYCINE C12 H9 I N2 O4 1 2
4HI (3R,5R)-7-[4-(BENZYLCARBAMOYL)-2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-1H-IMIDAZOL-1-YL]-3,5-DIHYDROXYHEPTANOIC ACID C27 H32 F N3 O5 1 1
4HK 5-{7-ETHYL-6-[(3S)-TETRAHYDROFURAN-3-YLOXY]-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-3-YL}PYRIDINE-2-CARBONITRILE C22 H20 N4 O2 1 1
4HL (6E)-4-[(2S)-2-AMINO-2-CARBOXYETHYL]-6-[2-(4-HYDROXYBENZYL)HYDRAZINIUMYLIDENE]-3-OXOCYCLOHEXA-1,4-DIEN-1-OLATE C16 H17 N3 O5 2 1
4HM 4-HYDROPEROXY-2-METHOXY-PHENOL C7 H8 O4 1 1
4HN 2-(2'-ETHOXYBIPHENYL-4-YL)-4-HYDROXY-1,6-NAPHTHYRIDINE-3-CARBONITRILE C23 H17 N3 O2 1 1
4HP 4-HYDROXYPHENYLACETATE C8 H8 O3 7 6
4HT 4-HYDROXYTRYPTOPHAN C11 H12 N2 O3 1 4
4HV N-[(2R)-1-(3-CYANOPHENYL)-3-HYDROXYPROPAN-2-YL]-5-(3,4-DIMETHOXYPHENYL)FURAN-3-CARBOXAMIDE C23 H22 N2 O5 1 1
4HX (4R)-4-(HYDROXY{N~5~-[IMINO(NITROAMINO)METHYL]-L-ORNITHYL}AMINO)-L-PROLINAMIDE C11 H22 N8 O5 1 1
4HY [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID C14 H9 I3 O4 1 12
4I4 (5R,6R,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-5-CYCLOHEXYL-6-HYDROXY-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE C20 H27 N6 O3 1 2 1
4I5 (6S)-2-CHLORO-5,6,7,8,9,10-HEXAHYDROCYCLOHEPTA[B]INDOLE-6-CARBOXAMIDE C14 H15 CL N2 O 1 1
4IC (3E)-4-(1H-IMIDAZOL-4-YL)BUT-3-ENOIC ACID C7 H8 N2 O2 1 1
4ID 2-({5-[(2,4-DIMETHYLPHENYL)SULFONYL]-6-OXO-1,6-DIHYDROPYRIMIDIN-2-YL}SULFANYL)-N-[2-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE C21 H18 F3 N3 O4 S2 1 1
4IG (2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2-(3,5-DIFLUOROPHENYL)-4-(3-METHOXYPROPYL)-2H-1,4-BENZOXAZIN-3(4H)-ONE C24 H25 F2 N5 O3 1 1
4IK (2S,5S)-2,6-DIAMINO-5-{[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL}HEXANOIC ACID C16 H25 N7 O5 0 0
4IN 4-AMINO-L-TRYPTOPHAN C11 H13 N3 O2 3 3
4IP INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE C6 H16 O18 P4 6 15
4IR {N-(4-{[2-(AMINO-KAPPAN)ETHYL]SULFAMOYL-KAPPAN}PHENYL)-5-[(3AS,4S,6AR)-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]PENTANAMIDE}(CHLORO)[(1,2,3,4,5-ETA)-1,2,3,4,5-PENTAMETHYLCYCLOPENTADIENYL]IRIDIUM(III) C28 H45 CL IR N5 O4 S2 2 1 1
4JP 1H-PYRROLO[3,2-B]PYRIDINE C7 H6 N2 1 1
4JZ 1-[5-TERT-BUTYL-2-(4-METHYLPHENYL)-1,2-DIHYDRO-3H-PYRAZOL-3-YLIDENE]-3-{3-[(PYRIDIN-3-YLOXY)METHYL]-1H-PYRAZOL-5-YL}UREA C24 H27 N7 O2 1 1
4K0 4-[3-(1H-PYRROLO[2,3-B]PYRIDIN-3-YLMETHYL)-[1,2,4]TRIAZOLO[4,3-B][1,2,4]TRIAZIN-6-YL]BENZENECARBONITRILE C19 H12 N8 1 1
4KE (3R,4S,5R)-3,4-DIHYDROXY-5-{[(2E)-3-(4-HYDROXYPHENYL)PROP-2-ENOYL]OXY}CYCLOHEX-1-ENE-1-CARBOXYLIC ACID C16 H16 O7 1 1
4KJ (5E)-5-[(N-METHOXY-N-METHYLCARBAMIMIDOYL)IMINO]-L-NORVALINE C8 H16 N4 O3 1 1
4KO (6R,7S)-7-({[(CYANOMETHYL)SULFANYL]ACETYL}AMINO)-7-METHOXY-3-{[(1-METHYL-1H-TETRAZOL-5-YL)SULFANYL]METHYL}-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID C15 H17 N7 O5 S3 1 1
4KR 7-AMINOCEPHALOSPORANIC ACID C10 H12 N2 O5 S 1 1
4LG METHYL (6-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-6-OXOPIPERAZIN-2-YL]METHOXY}-1H-INDOL-1-YL)ACETATE C33 H37 N3 O7 1 1
4LI (4R)-3-(4-[4-(2-CHLOROPHENYL)PIPERAZIN-1-YL]-6-{[2-METHYL-6-(METHYLCARBAMOYL)PHENYL]AMINO}-1,3,5-TRIAZIN-2-YL)-N-METHYL-1,3-THIAZOLIDINE-4-CARBOXAMIDE C27 H32 CL N9 O2 S 1 1
4LL 2-(BUTYLAMINO)QUINOLIN-8-OL C13 H16 N2 O 1 1
4LM (2E)-2-{[(1E)-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYLIDENE]AMINO}BUT-2-ENOIC ACID C12 H15 N2 O7 P 1 3
4MA 4-METHYLBENZOIC ACID C8 H8 O2 2 1
4MB 4-[(METHYLSULFONYL)AMINO]BENZOIC ACID C8 H9 N O4 S 1 1
4MC (Z)-N-(5-GUANIDINO-1-OXO-1-(5-PHENYL-1-(PHENYLSULFONYL)PENT-1-EN-3-YLAMINO)PENTAN-2-YL)-4-METHYLPIPERAZINE-1-CARBOXAMIDE C29 H41 N7 O4 S 1 1
4MD N-(4-CHLOROBENZYL)-N-METHYLBENZENE-1,4-DISULFONAMIDE C14 H15 CL N2 O4 S2 1 1
4ME METHYL 1H-INDOLE-4-CARBOXYLATE C10 H9 N O2 1 1
4MF 1 2
4ML [(2S)-2-METHYL-5-OXO-2,5-DIHYDROFURAN-2-YL]ACETIC ACID C7 H8 O4 1 1
4MM (1S)-1-CARBOXY-N,N,N-TRIMETHYL-3-(METHYLSULFANYL)PROPAN-1-AMINIUM C8 H18 N O2 S 1 1 1
4MO MOLYBDENUM(IV) ION MO 4 1 12
4MP 1-(4-METHOXYBENZOYL)-2-PYRROLIDINONE C12 H13 N O3 1 2
4MQ 4-(4-METHYL-1,4-DIAZEPAN-1-YL)QUINAZOLINE C14 H18 N4 1 1
4MR 5-(4-PHENOXYPHENYL)-5-(4-PYRIMIDIN-2-YLPIPERAZIN-1-YL)PYRIMIDINE-2,4,6(2H,3H)-TRIONE C24 H22 N6 O4 1 1
4MS N-({3-[(5S)-5-TERT-BUTYL-1-(3-CHLORO-4-FLUOROBENZYL)-4-HYDROXY-2-OXO-2,5-DIHYDRO-1H-PYRROL-3-YL]-1,1-DIOXIDO-1,2-BENZISOTHIAZOL-7-YL}METHYL)METHANESULFONAMIDE C24 H25 CL F N3 O6 S2 1 1
4MU 7-HYDROXY-4-METHYL-2H-CHROMEN-2-ONE C10 H8 O3 2 2
4MV 4-METHYL VALERIC ACID C6 H12 O2 4 5
4MY MYO INOSITOL 3,4,5,6 TETRAKISPHOSPHATE C6 H16 O18 P4 1 1
4MZ 4-METHYLIMIDAZOLE C4 H6 N2 2 5
4NA 1-CHLORO-6-(4-HYDROXYPHENYL)-2-NAPHTHOL C16 H11 CL O2 1 1
4NB 4-NITROBENZOIC ACID C7 H5 N O4 1 1
4NC 4-NITROCATECHOL C6 H5 N O4 4 8
4ND N4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINE C14 H15 N5 O 1 1
4NF N-(4-NITROPHENYL)THIOFORMAMIDE C7 H6 N2 O2 S 1 1
4NH 4-({4-[(4-AMINOBUT-2-YNYL)OXY]PHENYL}SULFONYL)-N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-3-CARBOXAMIDE C17 H23 N3 O5 S2 1 1
4NI 4-NITROBUTANOIC ACID C4 H7 N O4 1 1
4NL 4-AMINOPHENOL C6 H7 N O 1 1
4NM 4-NITROPHENYL METHANETHIOL C7 H8 N O2 S 1 1 1
4NN N-[(5S,6R)-5-HYDROXY-6-(HYDROXYMETHYL)-2-OXO-5,6-DIHYDRO-2H-PYRAN-3-YL]ACETAMIDE C8 H11 N O5 1 1
4NP 4-NITROPHENYL PHOSPHATE C6 H6 N O6 P 3 3
4NS 4-NITROPHENYL SULFATE C6 H5 N O6 S 1 1
4NZ 4-NITROBENZENESULFONAMIDE C6 H6 N2 O4 S 1 1
4OA (3BETA,5BETA,14BETA,17ALPHA)-3-HYDROXYCHOLAN-24-OIC ACID C24 H40 O3 1 1
4OC 4N,O2'-METHYLCYTIDINE-5'-MONOPHOSPHATE C11 H18 N3 O8 P 0 0
4OH (14BETA,15ALPHA,16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-TRIENE-3,15,16,17-TETROL C18 H24 O4 1 1
4OJ (2-METHYLPHENYL) DIHYDROGEN PHOSPHATE C7 H9 O4 P 1 2
4OP (2S,4S)-2-CARBOXY-4-HYDROXY-1,1-DIMETHYLPYRROLIDINIUM C7 H14 N O3 1 0 0
4OX 4-OXODECANEDIOIC ACID C10 H16 O5 1 2
4P5 4H-FURO[3,2-B]PYRROLE-5-CARBOXYLIC ACID C7 H5 N O3 1 1
4PA PROPYL ACETATE C5 H10 O2 2 2
4PB N-HYDROXY-4-PHOSPHONO-BUTANAMIDE C4 H8 N O5 P -2 1 1
4PC 3-(2'-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-6-METHYL-3,7-DIHYDRO-2H-PYRROLO[2,3-D]PYRIMIDIN-2-ONE C12 H16 N3 O7 P 1 2
4PG 1-[4-(2-OXO-2-PHENYLETHYL)PHENYL]GUANIDINE C15 H15 N3 O 1 1
4PH 4-METHYL-L-PHENYLALANINE C10 H13 N O2 0 0
4PI N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE C20 H23 N O 1 1
4PL 7-HYDROXY-6-METHYLFURO[3,4-C]PYRIDIN-1(3H)-ONE C8 H7 N O3 1 1
4PN 4-PIPERIDINO-PIPERIDINE C10 H20 N2 0 0
4PO ALPHA-(4-PYRIDYL-1-OXIDE)-N-TERT-BUTYLNITRONE C10 H14 N2 O2 0 0
4PP (2S)-(3'-AMIDINO-3-BIPHENYL)-5-(4-PYRIDYLAMINO)PENTANOIC ACID C23 H24 N4 O2 1 2
4PR (3S)-1-{[(3,5-DIMETHYLISOXAZOL-4-YL)AMINO]CARBONYL}-4,4-DIMETHYLPYRROLIDIN-3-YL{(1S)-1-[1-HYDROXY-2-OXO-2-{[(1R)-1-PHENYLETHYL]AMINO}ETHYL]PENTYL}CARBAMATE C28 H41 N5 O6 1 1
4PS 4'-DIPHOSPHO PANTETHEINE C11 H24 N2 O10 P2 S 1 1
4PT (2R)-3-{[(S)-{[(2S,3R,5S,6S)-2,6-DIHYDROXY-3,4,5-TRIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-(1-HYDROXYBUTOXY)PROPYL BUTYRATE C17 H36 O22 P4 3 3
4PY (2S)-1-(6H-INDOL-3-YL)-3-{[5-(7H-PYRAZOLO[3,4-C]PYRIDIN-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE C22 H20 N6 O 1 1
4PZ 4-METHYL-1H-PYRAZOLE C4 H6 N2 1 1
4QB 3-{2-ETHYL-6-[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-HEXANOYLAMINO}-4-OXO-BUTYRIC ACID C27 H31 N5 O5 1 1
4QC 3-[6-{2'-[(DIMETHYLAMINO)METHYL]BIPHENYL-4-YL}-7-OXO-3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN-1-YL]BENZAMIDE C29 H26 F3 N5 O2 1 1
4QS [(3R,5S,6R,7R,10R,11S,12E)-5,11,21-TRIMETHOXY-3,7,9,15,19-PENTAMETHYL-6-OXIDANYL-16,20,22-TRIS(OXIDANYLIDENE)-17-AZABICYCLO[16.3.1]DOCOSA-1(21),8,12,14,18-PENTAEN-10-YL] CARBAMATE C30 H42 N2 O9 1 1
4R8 (6E,10Z,13Z,16Z,19Z)-4-OXODOCOSA-6,10,13,16,19-PENTAENOIC ACID C22 H32 O3 0 0
4RB 4-(6-{[(1R)-1-(HYDROXYMETHYL)PROPYL]AMINO}IMIDAZO[1,2-B]PYRIDAZIN-3-YL)BENZOIC ACID C17 H18 N4 O3 1 1
4RG 3-(PHENOXYMETHYL)BENZOIC ACID C14 H12 O3 1 1
4SB (2R)-4-AMINO-N'-[(1E)-(3-BROMO-4-HYDROXYPHENYL)METHYLIDENE]-2-PHENYLBUTANEHYDRAZIDE C17 H18 BR N3 O2 1 1
4SC 4'-THIO-2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE GROUP C10 H16 N3 O5 P S 1 1
4SH N-BENZYL-2-[(MORPHOLIN-4-YLACETYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE C22 H27 N3 O3 S 1 1
4SM TETRATHIOMOLYBDATE MO S4 -2 1 1
4SO 4-SULFAMOYLBENZOIC ACID C7 H7 N O4 S 1 1
4SP O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE C18 H22 N6 O3 S 1 6
4ST 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE C28 H30 N4 O3 1 5
4SU 4-THIOURIDINE-5'-MONOPHOSPHATE C9 H13 N2 O8 P S 1 1
4TA P1-(5'-ADENOSYL)P4-(5'-(2'-DEOXY-THYMIDYL))TETRAPHOSPHATE C20 H25 N7 O20 P4 -4 2 3
4TB 4-(2-THIENYL)BUTYRIC ACID C8 H10 O2 S 1 1
4TC P1-(5'-ADENOSINE)P4-(5'-URIDINE)-BETA,GAMMA-METHYLENE TETRAPHOSPHATE C20 H29 N7 O20 P4 1 1
4TN (2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)-4-HYDROXYPHENYL]ACRYLIC ACID C25 H30 O4 1 1
4TP 4-HYDROXY-L-THREONINE-5-MONOPHOSPHATE C4 H10 N O7 P 1 1
4TR 2-BROMO-4-{[(4-CYANOPHENYL)(4H-1,2,4-TRIAZOL-4-YL)AMINO]METHYL}PHENYL SULFAMATE C16 H13 BR N6 O3 S 1 1
4TT 4,5,6,11-TETRAHYDRO-1H-PYRAZOLO[4',3':6,7]CYCLOHEPTA[1,2-B]INDOLE C14 H13 N3 1 1
4TZ 4-{[(4-CYANOPHENYL)(4H-1,2,4-TRIAZOL-4-YL)AMINO]METHYL}PHENYL SULFAMATE C16 H14 N6 O3 S 1 1
4U7 [(5S)-5-AMINO-5-CARBOXY-6,6-DIFLUOROHEXYL](TRIHYDROXY)BORATE(1-) C7 H15 B F2 N O5 -1 1 1
4UB 3-PHENYL-6-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE C15 H11 N5 1 1
4UN {4-[2,2-BIS(5-METHYL-1,2,4-OXADIAZOL-3-YL)-3-PHENYLPROPYL]PHENYL}SULFAMIC ACID C21 H21 N5 O5 S 1 1
4UP 6-[(2S,3S)-3-PHENYLOXIRAN-2-YL]NAPHTHALENE-2-CARBOXIMIDAMIDE C19 H16 N2 O 1 1
4V2 3-(5-MERCAPTO-1,3,4-OXADIAZOL-2-YL)-PHENOL C8 H6 N2 O2 S 1 1
4VA (2S)-4-AMINO-N-[(1R)-1-(4-CHLORO-2-FLUORO-3-PHENOXYPHENYL)PROPYL]-4-OXOBUTAN-2-AMINIUM C19 H23 CL F N2 O2 1 1 2
4VQ 4-[3-AMINO-6-(3,4,5-TRIMETHOXYPHENYL)PYRAZIN-2-YL]-2-METHYLBENZOIC ACID C21 H21 N3 O5 1 1
4WF 5-AZANYL-6-OXIDANYL-1-(PHENYLMETHYL)PYRIMIDINE-2,4-DIONE C11 H11 N3 O3 1 1
4WL 4H-THIENO[3,2-B]PYROLE-5-CARBOXYLIC ACID C7 H5 N O2 S 1 1
4X4 N-[2-(2-METHOXY-1H-DIPYRIDO[2,3-A:3',2'-E]PYRROLIZIN-11-YL)ETHYL]FURAN-2-CARBOXAMIDE C21 H18 N4 O3 1 1
4XB 3-METHOXYBENZYL 3-METHYL-4-(PIPERIDIN-4-YLOXY)-1-BENZOFURAN-2-CARBOXYLATE C23 H25 N O5 1 1
4XX 4-HYDROXY-5-METHYLFURAN-3(2H)-ONE C5 H6 O3 0 0
4YM ETHYL 4-[(2R)-2-(AMINOMETHYL)MORPHOLIN-4-YL]-3-(3-CYANOPHENYL)-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLATE C21 H22 N6 O3 1 1