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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00255228

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FXN5-FLUORO-1H-INDOLE-2-CARBOXYLIC ACID-
(2-MERCAPTO-ETHYL)-AMIDE
A,B1SHL0.72
DRC9-AMINO-N-[2-(4-MORPHOLINYL)ETHYL]-
4-ACRIDINECARBOXAMIDE
A1KCI0.71
PRLPROFLAVINH,I1BCU0.73
PRLPROFLAVINA,B,D,E1QVT0.73
PRLPROFLAVINA,B2KD40.73
PRLPROFLAVINA1QVU0.73
SN61-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUMA,B144D0.7
9AC9-ACRIDINECARBONYLA,B,G,J,K,L,M1G3X0.9
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE
A465D0.73
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE
A452D0.73
BRFA1UUO0.74
TTR9-ACETYL-2,3,4,9-TETRAHYDRO-1H-
CARBAZOL-1-ONE
A2D820.76
QNC2-CARBONYLQUINOLINEA,B1MTB0.98
QNC2-CARBONYLQUINOLINEA,B2FGV0.98
QNC2-CARBONYLQUINOLINEI1IVQ0.98
QNC2-CARBONYLQUINOLINEA,B2FGU0.98
QNC2-CARBONYLQUINOLINEA1JLD0.98
QNC2-CARBONYLQUINOLINEA,B1HXB0.98
IQZ(12bS)-1,2,3,4,12,12b-hexahydroindolo[2,3-
a]quinolizin-7(6H)-one
A1S1J0.72
2AQQUINOLIN-2-AMINEA2OHL0.73
311(3,3-dimethylpiperidin-1-yl)(6-
(3-fluoro-4-methylphenyl)pyridin-
2-yl)methanone
A,B,D,E3CH60.78
QNDQUINALDIC ACIDA,B1IDA0.81
HQU3-HYDROXYQUINALDIC ACIDC,D193D0.72
DA75-FLUORO-9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE
A1DL80.73
I3A1H-INDOLE-3-CARBALDEHYDEA,B,C,D3BWL0.72
I3A1H-INDOLE-3-CARBALDEHYDEA,B2OU30.72
7AD9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE-
4-CARBOXAMIDE
A,B1RQY0.74
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.7
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID
A1D3G0.74
7609-(3-PHENYLMETHYLAMINO)-1,2,3,4-
TETRAHYDROACRIDINE
A1DX40.7
THATACRINEA,B2AOW0.75
THATACRINEA,B,C,D,E,F1MX10.75
THATACRINEA,B2AOX0.75
THATACRINEA1ACJ0.75
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE
A,B1FN20.74
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE
A,B1FN10.74