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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00100322

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
238A2PRH0.76
1242-(2-HYDROXY-PHENYL)-1H-INDOLE-
5-CARBOXAMIDINE
A1GI60.73
FBQ1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-
3-YL)METHYL]THIO}METHYL)PHENYL]-
2,2,2-TRIFLUOROETHANE-1,1-DIOL
A1HBJ0.71
DK15,7-DICHLORO-4-HYDROXYQUINOLINE-
2-CARBOXYLIC ACID
A,B1PBQ0.78
DQU2,6-DIAMINO-3H-QUINAZOLIN-4-ONEA1R5Y0.74
DQU2,6-DIAMINO-3H-QUINAZOLIN-4-ONEA1Q4W0.74
ASEN-ACETYL SEROTONINA1NAS0.71
HQA3-(8-hydroxyquinolin-3-yl)-L-alanineA,B3FCA0.71
MTKMONTELUKASTA2NNI0.73
8PC2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN-
2-YLMETHYL)PHENOL
A,B2OP10.71
8PC2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN-
2-YLMETHYL)PHENOL
A,B,C,D3FNE0.71
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID
A1D3G0.71
9HP9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINEA1PMU0.78
7722-CYANOQUINOLIN-8-YL DIHYDROGEN PHOSPHATEA1O4H0.78
EI13-ETHYL-2-(4-HYDROXYPHENYL)-2H-
INDAZOL-5-OL
A,B2QAB0.78
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C1KQG0.86
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,D,E,F2VR00.86
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,M,N,O,P1KF60.86
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE
H1O5E0.74
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE
B1GJ70.74
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE
H,I1GJ40.74
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE
A1GJ60.74
QNDQUINALDIC ACIDA,B1IDA0.73
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEC,D,E1NU10.86
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEA,B,C,D,G2E750.86
CQA4-[(7-CHLOROQUINOLIN-4-YL)AMINO]-
2-[(DIETHYLAMINO)METHYL]PHENOL
A,B2AOU0.82
BRFA1UUO0.71
HUX3-CHLORO-9-ETHYL-6,7,8,9,10,11-
HEXAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-
12-AMINE
A1E660.7
HQU3-HYDROXYQUINALDIC ACIDC,D193D0.76
EES3-CHLORO-2-(4-HYDROXYPHENYL)-2H-
INDAZOL-5-OL
A,B2QGW0.81
QUNQUINACRINEA,B1JQE0.8
7PC2-[4-(AMINOMETHYL)-2-CHLOROPHENOXY]-
5-PYRIDIN-2-YLPHENOL
A,B2OP00.71
SROSEROTONINA,B3BRN0.73
SROSEROTONINA2QEH0.73
QUMQUINACRINE MUSTARDA,B1GXF0.72