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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01712658

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
W37N-(6-{[1-(4-BROMOPHENYL)ISOQUINOLIN-
6-YL]OXY}HEXYL)-N-METHYLPROP-2-
EN-1-AMINE
A,B,C1O6H0.72
EI13-ETHYL-2-(4-HYDROXYPHENYL)-2H-
INDAZOL-5-OL
A,B2QAB0.72
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C1KQG0.8
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,D,E,F2VR00.8
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,M,N,O,P1KF60.8
9HP9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINEA1PMU0.77
1242-(2-HYDROXY-PHENYL)-1H-INDOLE-
5-CARBOXAMIDINE
A1GI60.7
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID
A1D3G0.71
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEC,D,E1NU10.8
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEA,B,C,D,G2E750.8
QNDQUINALDIC ACIDA,B1IDA0.71
9072-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-6-BROMO-4-METHYLBENZENOLATE
A1O3I0.72
9072-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-6-BROMO-4-METHYLBENZENOLATE
A1O3H0.72
HQA3-(8-hydroxyquinolin-3-yl)-L-alanineA,B3FCA0.73
PBQPENTABROMOPSEUDILINA2JHR0.72
FBQ1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-
3-YL)METHYL]THIO}METHYL)PHENYL]-
2,2,2-TRIFLUOROETHANE-1,1-DIOL
A1HBJ0.72
BRFA1UUO0.71
HQU3-HYDROXYQUINALDIC ACIDC,D193D0.76
7722-CYANOQUINOLIN-8-YL DIHYDROGEN PHOSPHATEA1O4H0.79