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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01031529

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3202-(4-fluorophenyl)-N-{[3-fluoro-
4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide
A3CTJ0.71
DZF5-DEAZAFOLIC ACIDA,B2DHF0.71
DZF5-DEAZAFOLIC ACIDA,B1DYH0.71
DZF5-DEAZAFOLIC ACIDA,B,C,D1CDE0.71
MMG4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-
3-yl)benzoic acid
A3HDM0.7
LYA2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-
3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-
ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID
A,B,C,D1JUJ0.73
LYA2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-
3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-
ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID
A,B,C,D1JU60.73
2SMmethyl 2-{[(4-methylpyrimidin-2-
yl)carbamoyl]sulfamoyl}benzoate
A3EA40.71
3BA7-amino-2-tert-butyl-4-{[2-(1H-
imidazol-4-yl)ethyl]amino}pyrido[2,3-
d]pyrimidine-6-carboxamide
A3BAA0.72
PRCN-[4-METHYL-3-[[4-(3-PYRIDINYL)-
2-PYRIMIDINYL]AMINO]PHENYL]-3-PYRIDINECARBOXAMIDE
A,B1FPU0.7
OQB4-OXO-3-[(6-{[4-(QUINOXALIN-2-YLAMINO)-
BENZOYLAMINO]-METHYL}-PYRIDINE-
3-CARBONYL)-AMINO]-BUTYRIC ACID
A1RWW0.7
MFR4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-
3-yl)pyrimidin-2-amine
A,B,C,D3BHT0.71
GK6N-{4'-[(cyclopropylmethyl)carbamoyl]-
6-methylbiphenyl-3-yl}-2-morpholin-
4-ylpyridine-4-carboxamide
A3D830.71
FXGN-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamideA3DAJ0.71
P385-methyl-4-[(2-methyl-5-{[(2-morpholin-
4-ylpyridin-4-yl)carbonyl]amino}phenyl)amino]-
N-(1-phenylethenyl)pyrrolo[2,1-
f][1,2,4]triazine-6-carboxamide
A3BV20.7
C243-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)-
METHYL]-3-METHYL-3H-BENZOIMIDAZOLE-
5-CARBONYL}-PYRIDIN-2-YL-AMINO)-
PROPIONIC ACID ETHYL ESTER
B,C1KTS0.75
199N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-
1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDE
A1ZYS0.71
C92N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-
4-methyl-benzene-1,3-dicarboxamide
A,B3CPB0.7
553(7S)-2-(2-aminopyrimidin-4-yl)-
7-(2-fluoroethyl)-1,5,6,7-tetrahydro-
4H-pyrrolo[3,2-c]pyridin-4-one
A,B3DU80.72
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E7S0.72
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E7M0.72
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B,C,D3E7G0.72
7CS(3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-
3-YL 1H-PYRROLO[2,3-B]PYRIDINE-
3-CARBOXYLATE
A2QHM0.81
LYB2-{4-[4-(4-{4-[2-(2-AMINO-4-OXO-
4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-
5-YL)-ETHYL]-BENZOYLAMINO}-4-CARBOXY-
BUTYRYLAMINO)-4-CARBOXY-BUTYRYLAMINO}-
PENTANEDIOIC ACID
A,B1JTU0.7
DVPMETHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-
6-YL)METHYL]AMINO}BENZOYL)PIPERIDINE-
4-CARBOXYLATE
A,B,C,D,E,F,
G,H
3H4V0.7
3284-({4-[(4-methoxypyridin-2-yl)amino]piperidin-
1-yl}carbonyl)benzonitrile
A,B3EAI0.71
368(1R)-2-{[AMINO(IMINO)METHYL]AMINO}-
1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE
A1ZLR0.75
DX62-amino-5-(2-phenylethyl)-3,7-dihydro-
4H-pyrrolo[2,3-d]pyrimidin-4-one
A,B,C,D3BMH0.72
G142-phenyl-1H-imidazole-4-carboxylic acidA,B3GRJ0.7
GPBN-[4-[2-(2-AMINO-4-METHYL-7H-PYRROLO[2,3-
D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYL]GLUTAMIC ACID
A1E260.73
LYD2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-
3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-
ETHYL]-BENZOYLAMINO}-3-METHYL-BUTYRIC ACID
A,B1JUT0.74
NFL2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACIDA1TD70.74
20A1-ethyl-N-(phenylmethyl)-4-(tetrahydro-
2H-pyran-4-ylamino)-1H-pyrazolo[3,4-
b]pyridine-5-carboxamide
A3D3P0.71
279N-ethyl-4-{[5-(methoxycarbamoyl)-
2-methylphenyl]amino}-5-methylpyrrolo[2,1-
f][1,2,4]triazine-6-carboxamide
A2RG50.7
C80(2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-
BENZYL-1H-INDOLE-3-CARBOXYLATE
C,O2V110.7
1FN1-(4-fluorophenyl)-N-[3-fluoro-
4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-
2-oxo-1,2-dihydropyridine-3-carboxamide
A3CE30.71
INP4-[[N-[(PHENYLMETHOXY)CARBONYL]-
/NL/N-LEUCYL]AMINO]-1[(2S)-2-[[[4-
(PYRIDINYLMETHOXY)CARBONYL]AMINO]-
4-METHYLPENT/NYL]-3-PYRROLIDINONE/N
A1AU40.72
P3Y5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3-
B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE-
3-CARBOXAMIDE
A2Z600.72
P3Y5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3-
B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE-
3-CARBOXAMIDE
A,B2QOH0.72
24XH,L2EC90.73
MHR4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-
3-yl)pyrimidin-2-amine
A,B,C,D3BHU0.72
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.71
R862-{(2R)-4-[2-(1H-IMIDAZOL-1-YL)-
6-METHYLPYRIMIDIN-4-YL]-1-ISOBUTYRYLPIPERAZIN-
2-YL}-N-[2-(4-METHOXYPHENYL)ETHYL]ACETAMIDE
A2ORP0.71
AXD2-[4-({2-[(2S,5R)-2-(AMINOMETHYL)-
5-ETHYNYLPYRROLIDIN-1-YL]-2-OXOETHYL}AMINO)-
4-METHYLPIPERIDIN-1-YL]ISONICOTINIC ACID
B2I030.77
608N-(4-phenoxyphenyl)-2-[(pyridin-
4-ylmethyl)amino]nicotinamide
A,B2P2I0.75
1PU1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-
PYRROLO[2,1-A]ISOINDOL-9-YL)-3-
PYRIDIN-2-YL-UREA
A1GII0.71
1PU1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-
PYRROLO[2,1-A]ISOINDOL-9-YL)-3-
PYRIDIN-2-YL-UREA
A1GIH0.71
SX72-amino-5-[3-(1-ethyl-1H-pyrazol-
5-yl)-1H-pyrrolo[2,3-b]pyridin-
5-yl]-N,N-dimethylbenzamide
A,B3DK30.71
SX72-amino-5-[3-(1-ethyl-1H-pyrazol-
5-yl)-1H-pyrrolo[2,3-b]pyridin-
5-yl]-N,N-dimethylbenzamide
A,B3DK70.71
SX72-amino-5-[3-(1-ethyl-1H-pyrazol-
5-yl)-1H-pyrrolo[2,3-b]pyridin-
5-yl]-N,N-dimethylbenzamide
A,B3DK60.71
S91[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-
2-YL}AMINO)PHENYL]ACETIC ACID
A2Z8C0.71
S91[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-
2-YL}AMINO)PHENYL]ACETIC ACID
A2Z7L0.71