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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01245022

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CNQ3-(4-CHLOROPHENYL)QUINOXALINE-5-
CARBOXAMIDE
A,B,C,D1WOK0.78
QNC2-CARBONYLQUINOLINEA,B1MTB0.85
QNC2-CARBONYLQUINOLINEA,B2FGV0.85
QNC2-CARBONYLQUINOLINEI1IVQ0.85
QNC2-CARBONYLQUINOLINEA,B2FGU0.85
QNC2-CARBONYLQUINOLINEA1JLD0.85
QNC2-CARBONYLQUINOLINEA,B1HXB0.85
DK15,7-DICHLORO-4-HYDROXYQUINOLINE-
2-CARBOXYLIC ACID
A,B1PBQ0.72
2AQQUINOLIN-2-AMINEA2OHL0.7
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE
A465D0.72
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE
A452D0.72
CLQN4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-
DIETHYL-PENTANE-1,4-DIAMINE
A1CET0.71
PRLPROFLAVINH,I1BCU0.72
PRLPROFLAVINA,B,D,E1QVT0.72
PRLPROFLAVINA,B2KD40.72
PRLPROFLAVINA1QVU0.72
IIE1-{2-[(4-CHLOROPHENYL)AMINO]-2-
OXOETHYL}-N-(1-ISOPROPYLPIPERIDIN-
4-YL)-1H-INDOLE-2-CARBOXAMIDE
B2BQW0.7
14C2-(2-chloropyridin-4-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione
A3C060.74
14C2-(2-chloropyridin-4-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione
A3C0A0.74
BRFA1UUO0.72
HUX3-CHLORO-9-ETHYL-6,7,8,9,10,11-
HEXAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-
12-AMINE
A1E660.75
9AC9-ACRIDINECARBONYLA,B,G,J,K,L,M1G3X0.85
QNDQUINALDIC ACIDA,B1IDA0.75
5Z55-[(Z)-(5-CHLORO-2-OXO-1,2-DIHYDRO-
3H-INDOL-3-YLIDENE)METHYL]-N-(DIETHYLAMINO)ETHYL]-
2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE
A2JAV0.71
238A2PRH0.77
7AD9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE-
4-CARBOXAMIDE
A,B1RQY0.73
8STN-(4-chlorophenyl)-2-[(pyridin-
4-ylmethyl)amino]benzamide
A3HNG0.73
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID
A1D3G0.72
IQZ(12bS)-1,2,3,4,12,12b-hexahydroindolo[2,3-
a]quinolizin-7(6H)-one
A1S1J0.71
THATACRINEA,B2AOW0.74
THATACRINEA,B,C,D,E,F1MX10.74
THATACRINEA,B2AOX0.74
THATACRINEA1ACJ0.74
311(3,3-dimethylpiperidin-1-yl)(6-
(3-fluoro-4-methylphenyl)pyridin-
2-yl)methanone
A,B,D,E3CH60.71
TTR9-ACETYL-2,3,4,9-TETRAHYDRO-1H-
CARBAZOL-1-ONE
A2D820.72
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE
A,B1FN20.73
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE
A,B1FN10.73