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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02288940

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AGE(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-
1H-pyrrol-2-yl]prop-2-enamide
A,B,C3F070.71
311(3,3-dimethylpiperidin-1-yl)(6-
(3-fluoro-4-methylphenyl)pyridin-
2-yl)methanone
A,B,D,E3CH60.75
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE
A465D0.72
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE
A452D0.72
9AC9-ACRIDINECARBONYLA,B,G,J,K,L,M1G3X0.76
IQZ(12bS)-1,2,3,4,12,12b-hexahydroindolo[2,3-
a]quinolizin-7(6H)-one
A1S1J0.7
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PC20.71
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B,C,D1ARZ0.71
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PE70.71
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PES0.71
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1C3V0.71
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1P9L0.71
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID
C2JQ70.74
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID
B1OLN0.74
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID
A1E9W0.74
NCANICOTINAMIDEA,B2E5D0.72
NCANICOTINAMIDEA,B,C,D2Z770.72
NCANICOTINAMIDEA,B1DMA0.72
NCANICOTINAMIDEA,B1ISM0.72
NCANICOTINAMIDEA,B1YC50.72
NCANICOTINAMIDEA2ZB70.72
NCANICOTINAMIDEA,B,C,D,E,F,
G,H
1R150.72
NCANICOTINAMIDEA,B2QQG0.72
NCANICOTINAMIDEA2OTV0.72
NCANICOTINAMIDEA2QHF0.72
NCANICOTINAMIDEA,B,C,D2C8A0.72
NCANICOTINAMIDEA,B2HJH0.72
NCANICOTINAMIDEA2A150.72
NCANICOTINAMIDEA2R6V0.72
NCANICOTINAMIDEA,B1ISI0.72
NCANICOTINAMIDEA,D,E2R9J0.72
NCANICOTINAMIDEA2H4J0.72
NCANICOTINAMIDEA,B2OD90.72
NCANICOTINAMIDEA,B,C,D,E1YC20.72
NCANICOTINAMIDEA,B3DZG0.72
NCANICOTINAMIDEA1OJU0.72
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.8
QNDQUINALDIC ACIDA,B1IDA0.74
QNC2-CARBONYLQUINOLINEA,B1MTB0.82
QNC2-CARBONYLQUINOLINEA,B2FGV0.82
QNC2-CARBONYLQUINOLINEI1IVQ0.82
QNC2-CARBONYLQUINOLINEA,B2FGU0.82
QNC2-CARBONYLQUINOLINEA1JLD0.82
QNC2-CARBONYLQUINOLINEA,B1HXB0.82
7AD9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE-
4-CARBOXAMIDE
A,B1RQY0.73
MYTMETYRAPONEA1PHG0.77
MYTMETYRAPONEA1W0G0.77
NTMQUINOLINIC ACIDA3C2O0.7
NTMQUINOLINIC ACIDA,B1QAP0.7
NTMQUINOLINIC ACIDA,B,C,D,E,F1QPQ0.7
NTMQUINOLINIC ACIDA,B,C2B7N0.7
TTR9-ACETYL-2,3,4,9-TETRAHYDRO-1H-
CARBAZOL-1-ONE
A2D820.77
NIXNALIDIXIC ACIDA,B2BQ20.73
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE
A,B1FN20.73
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE
A,B1FN10.73