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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01204388

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.7
BI54-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDEA1ZYJ0.75
337N-benzyl-1-[5-({5-tert-butyl-2-
methoxy-3-[(methylsulfonyl)amino]phenyl}carbamoyl)-
2-methylphenyl]-1H-1,2,3-triazole-
4-carboxamide
A3CTQ0.73
5DE1-(4-AMINOPHENYL)-3,5-DIMETHYL-
1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
A,B1Y2E0.75
3IHN-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-
L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-
4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-
3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
A2HOB0.71
3IHN-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-
L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-
4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-
3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
A,B2AMQ0.71
3IHN-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-
L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-
4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-
3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
A,B,C,D3D230.71
3IHN-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-
L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-
4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-
3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
A,B2Q6F0.71
BAX4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-
N-METHYLPYRIDINE-2-CARBOXAMIDE
A,B1UWH0.71
BAX4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-
N-METHYLPYRIDINE-2-CARBOXAMIDE
A,B1UWJ0.71
896N-ETHYL-N-ISOPROPYL-3-METHYL-5-
{[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE
B,H2UUJ0.77
541(2R)-N-HYDROXY-2-[(3S)-3-METHYL-
3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-
2-OXOPYRROLIDIN-1-YL]PROPANAMIDE
A,B2FV50.72
5FR4-({1-[3-(3-amino-3-oxopropyl)-
5-chlorophenyl]-3-methyl-1H-pyrazolo[4,3-
c]pyridin-6-yl}amino)-3-methoxy-
N-(1-methylpiperidin-4-yl)benzamide
A3DBF0.7
2E15-(5-CHLORO-2,4-DIHYDROXYPHENYL)-
N-ETHYL-4-PIPERAZIN-1-YL-1H-PYRAZOLE-
3-CARBOXAMIDE
A2CCT0.7
A4L9-[(5-(ACETYLAMINO)-6-{[(1S,4R)-
8-AMINO-4-[((2R)-6-AMINO-2-{2-[(1S)-
5-AMINO-1-FORMYLPENTYL]HYDRAZINO}HEXANOYL)AMINO]-
1-(4-AMINOBUTYL)-2,3-DIOXOOCTYL]AMINO}-
6-OXOHEXYL)AMINO]-6-CHLORO-2-METHOXYACRIDINIUM
A,B1XCS0.71
3DE3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-
4-CARBOXYLIC ACID ETHYL ESTER
A,B1Y2C0.73
897N-[3-(TERT-BUTYLAMINO)-3-OXOPROPYL]-
N-ISOPROPYL-3-METHYL-5-{[(2S)-2-
(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE
B,H2UUK0.77
8935-CYANO-N-(2,5-DIMETHOXYBENZYL)-
6-ETHOXYPYRIDINE-2-CARBOXAMIDE
A,B2H960.75
4DE1-(4-METHOXYPHENYL)-3,5-DIMETHYL-
1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
A,B1Y2D0.84
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.71
5472,3-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-
B]PYRIDIN-4-AMINE
A2OF20.72
3P45-[2-(BUT-3-EN-1-YLOXY)-5-(1-HYDROXYVINYL)PYRIDIN-
3-YL]-3-ETHYL-2-(1-ETHYLAZETIDIN-
3-YL)-1,2,6,7A-TETRAHYDRO-7H-PYRAZOLO[4,3-
D]PYRIMIDIN-7-ONE
A2CHM0.7
B961-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-
3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-
NAPHTHALEN-1-YL]-UREA
A3FZS0.72
B961-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-
3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-
NAPHTHALEN-1-YL]-UREA
A1KV20.72
608N-(4-phenoxyphenyl)-2-[(pyridin-
4-ylmethyl)amino]nicotinamide
A,B2P2I0.73