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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00839958

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BMU1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-
3-YL)-3-(4-CHLORO-PHENYL)-UREA
A1KV10.76
73Q6-CHLORO-9-HYDROXY-1,3-DIMETHYL-
1,9-DIHYDRO-4H-PYRAZOLO[3,4-B]QUINOLIN-
4-ONE
A,B2G010.73
D15N-(5-{[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-
1H-indazol-3-yl)benzamide
A,B,C,D2VX30.79
1AU1-[1-(3-aminophenyl)-3-tert-butyl-
1H-pyrazol-5-yl]-3-naphthalen-1-
ylurea
A3F3T0.74
P0419-(cyclopropylamino)-4,6,7,15-
tetrahydro-5H-16,1-(azenometheno)-
10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-
8(9H)-one
A3BE90.72
P63N-(3-(8-CYANO-4-(PHENYLAMINO)PYRAZOLO[1,5-
A][1,3,5]TRIAZIN-2-YLAMINO)PHENYL)ACETAMIDE
A2PVN0.71
2AZN-(3-AMINOPROPYL)-N-[(R)-(3-BENZYL-
5-CHLORO-4-OXO-3,4-DIHYDROPYRROLO[2,1-
F][1,2,4]TRIAZIN-2-YL)(CYCLOPROPYL)METHYL]-
4-METHYLBENZAMIDE
A,B,D,E2GM10.7
3FR3'-chloro-5'-(3-methyl-6-{[(1S)-
1-phenylethyl]amino}-1H-pyrazolo[4,3-
c]pyridin-1-yl)biphenyl-2-carboxamide
A3DBD0.74
P452-(4-CHLOROBENZYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-
A][1,3,5]TRIAZINE-8-CARBONITRILE
A2PVK0.73
N5BN-(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)BENZAMIDEA1VYZ0.76
292N-(3-CYCLOPROPYL-1H-PYRAZOL-5-YL)-
2-(2-NAPHTHYL)ACETAMIDE
A,C,D1VYW0.75
740N-[5-(1,1-DIOXIDOISOTHIAZOLIDIN-
2-YL)-1H-INDAZOL-3-YL]-2-(4-PIPERIDIN-
1-YLPHENYL)ACETAMIDE
A2R640.7
1AW1-[1-(3-aminophenyl)-3-tert-butyl-
1H-pyrazol-5-yl]-3-phenylurea
A,B3F3U0.75
8665-amino-N-[(2S)-2-({[(2,6-dichlorophenyl)carbonyl](ethyl)amino}methyl)-
3,3,3-trifluoro-2-hydroxypropyl]-
1-(4-fluorophenyl)-1H-pyrazole-
4-carboxamide
A,B3E7C0.72
FRB2-CYCLOHEXYL-N-(2-{4-[5-(2,3-DICHLORO-
PHENYL)-2H-PYRAZOL-3-YL]-PIPERIDIN-
1-YL}-2-OXO-ETHYL)-2-GUANIDINO-
ACETAMIDE
A,B1PW60.7
D056-(3,4-DIHYDROXYBENZYL)-3-ETHYL-
1-(2,4,6-TRICHLOROPHENYL)-1H-PYRAZOLO[3,4-
D]PYRIMIDIN-4(5H)-ONE
A2B540.72
2FR3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-
1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide
A3DBC0.73
DZO3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5-
a]pyrimidin-5-amine
A3E7V0.73