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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01605314

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CX1N-[(benzyloxy)carbonyl]-L-histidyl-
N-methyl-L-phenylalanyl-L-tyrosine
B3C720.7
GDV(5R,6R,7R,8S)-8-(ACETYLAMINO)-6,7-
DIHYDROXY-5-(HYDROXYMETHYL)-N-PHENYL-
1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-
A]PYRIDINE-2-CARBOXAMIDE
A2J470.72
FR41-((1R)-1-(HYDROXYMETHYL)-3-{6-
[(3-PHENYLPROPANOYL)AMINO]-1H-INDOL-
1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE
A1UML0.73
IH32-(2,2-DIPHENYL-ETHYL)-7-METHYL-
1,3-DIOXO-2,3,5,8-TETRAHYDRO-1H-
[1,2,4] TRIAZOLO[1,2-A]PYRIDAZINE-
5-CARBOXYLIC ACID [4-(2-AMINO-3H-
IMIDAZOL-4-YL)-CYCLOHEXYL]-AMIDE
2,31C4Y0.7
L0C4-{[2-(4-{[(4-FLUOROPHENYL)CARBONYL]AMINO}-
1H-PYRAZOL-3-YL)-1H-BENZIMIDAZOL-
6-YL]METHYL}MORPHOLIN-4-IUM
A2W1C0.72
UN8N-(4-{[3-BUTYL-1-(2-FLUOROBENZYL)-
2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-
PURIN-8-YL]METHYL}PHENYL)-1-METHYL-
1H-IMIDAZOLE-4-SULFONAMIDE
A,B2GMV0.73
FR91-[(1R)-3-(6-{[(BENZYLAMINO)CARBONYL]AMINO}-
1H-INDOL-1-YL)-1-(HYDROXYMETHYL)PROPYL]-
1H-IMIDAZOLE-4-CARBOXAMIDE
A1O5R0.75
FRC1-{(1R,2S)-2-HYDROXY-1-[2-(2-NAPHTHYLOXY)ETHYL]PROPYL}-
1H-IMIDAZONE-4-CARBOXAMIDE
A1V7A0.71
FR21-((1R)-1-(HYDROXYMETHYL)-3-PHENYLPROPYL)-
1H-IMIDAZOLE-4-CARBOXAMIDE
A1NDW0.73
FR61-{(1R,2S)-2-HYDROXY-1-[2-(1-NAPHTHYL)ETHYL]PROPYL}-
1H-IMIDAZOLE-4-CARBOXAMIDE
A2E1W0.74
FR31-((1R)-1-(HYDROXYMETHYL)-3-(1-
NAPHTHYL)PROPYL)-1H-IMIDAZOLE-4-
CARBOXAMIDE
A1NDY0.74
HBNN-(2-NAPHTHYL)HISTIDINAMIDEB1VEA0.76
FR51-((1R)-1-(HYDROXYMETHYL)-3-(6-
((3-(1-METHYL-1H-BENZIMIDAZOL-2-
YL)PROPANOYL)AMINO)-1H-INDOL-1-
YL)PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE
A1NDZ0.72
IFCN-[2-methyl-5-({[3-(4-methyl-1H-
imidazol-1-yl)-5-(trifluoromethyl)phenyl]carbonyl}amino)phenyl]isoxazole-
5-carboxamide
A3DZQ0.75
55FN-[4-(5-fluoro-6-methylpyridin-
2-yl)-5-quinoxalin-6-yl-1H-imidazol-
2-yl]acetamide
A,B,C,D,E3FAA0.72
TSXN-[4-(1-ALLYL-3-BUTYL-2,6-DIOXO-
2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL)-
PHENYL]-ACETAMIDE
A1M510.74
FTBN-{4-[1-(2-FLUOROBENZYL)-3-BUTYL-
2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-
PURIN-8-YLMETHYL]-PHENYL}-ACETAMIDE
A1NHX0.76
T87[(1-{2[(4-CARBAMIMIDOYL-PHENYLAMINO)-
METHYL]-1-METHYL-1H-BENZOIMIDAZOL-
5-YL}-CYCLOPROPYL)-PYRIDIN-2-YL-
METHYLENEAMINOOXY]-ACETIC ACID ETHYL ESTER
B,C1G300.75
T87[(1-{2[(4-CARBAMIMIDOYL-PHENYLAMINO)-
METHYL]-1-METHYL-1H-BENZOIMIDAZOL-
5-YL}-CYCLOPROPYL)-PYRIDIN-2-YL-
METHYLENEAMINOOXY]-ACETIC ACID ETHYL ESTER
A1G2L0.75
T87[(1-{2[(4-CARBAMIMIDOYL-PHENYLAMINO)-
METHYL]-1-METHYL-1H-BENZOIMIDAZOL-
5-YL}-CYCLOPROPYL)-PYRIDIN-2-YL-
METHYLENEAMINOOXY]-ACETIC ACID ETHYL ESTER
A1OYQ0.75
G142-phenyl-1H-imidazole-4-carboxylic acidA,B3GRJ0.78
199N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-
1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDE
A1ZYS0.7
BMI3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL-
1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN-
2-YLMETHYL)AMINO]PYRIDIN-2(1H)-
ONE
A2OJ90.7
FR81-((1R)-1-(HYDROXYMETHYL)-3-{6-
[(5-PHENYLPENTANOYL)AMINO]-1H-INDOL-
1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE
A1QXL0.73
NILNilotinibA,B,C,D3CS90.71
NILNilotinibA3GP00.71
RUN2-[(1R,3S,4S)-1-BENZYL-4-[N-(BENZYLOXYCARBONYL)-
L-VALYL]AMINO-3-PHENYLPENTYL]-4(5)-
(2-METHYLPROPIONYL)IMIDAZOLE
B1HPS0.75
C243-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)-
METHYL]-3-METHYL-3H-BENZOIMIDAZOLE-
5-CARBONYL}-PYRIDIN-2-YL-AMINO)-
PROPIONIC ACID ETHYL ESTER
B,C1KTS0.76