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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00008005

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
238A2PRH0.71
BRFA1UUO0.75
HQC3-{6-[(8-HYDROXY-QUINOLINE-2-CARBONYL)-
AMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-
4-OXO-BUTYRI ACID
A1RWP0.77
4HGN-[(4-HYDROXY-8-IODOISOQUINOLIN-
3-YL)CARBONYL]GLYCINE
A2G190.74
4HGN-[(4-HYDROXY-8-IODOISOQUINOLIN-
3-YL)CARBONYL]GLYCINE
A2G1M0.74
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID
C2JQ70.77
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID
B1OLN0.77
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID
A1E9W0.77
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B,C2W2I0.7
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA2GKL0.7
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2VD70.7
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2JIG0.7
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.72
MR44-(1,3-BENZOXAZOL-2-YL)-2,6-DIMETHYLPHENOLA,B2QGC0.73
MR62-(3,5-DIMETHYLPHENYL)-1,3-BENZOXAZOLEA,B2QGE0.73
HQA3-(8-hydroxyquinolin-3-yl)-L-alanineA,B3FCA0.79
3HM5-hydroxy-6-methylpyridine-3-carboxylic acidA,B3GMC0.71
HQU3-HYDROXYQUINALDIC ACIDC,D193D0.91
PXG3-[O-PHOSPHONOPYRIDOXYL]--AMINO-
BENZOIC ACID
A1B9I0.73
0412-(3-FLUORO-4-HYDROXYPHENYL)-7-
VINYL-1,3-BENZOXAZOL-5-OL
A,B1X7B0.71
QNDQUINALDIC ACIDA,B1IDA0.87
7722-CYANOQUINOLIN-8-YL DIHYDROGEN PHOSPHATEA1O4H0.78
8261,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)-
9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY-
2H-PYRIDO[3,4-B]INDOLE
A,B1I300.71
PXL3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDEA,B3FHX0.71
PXL3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDEA,B2DDW0.71
PXL3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDEA,B2Z9W0.71
PXL3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDEA,B2Z9X0.71
PXL3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDEA,B1TD20.71
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEC,D,E1NU10.77
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEA,B,C,D,G2E750.77
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID
A1D3G0.75
9AC9-ACRIDINECARBONYLA,B,G,J,K,L,M1G3X0.73
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C1KQG0.77
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,D,E,F2VR00.77
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,M,N,O,P1KF60.77
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PC20.75
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B,C,D1ARZ0.75
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PE70.75
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PES0.75
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1C3V0.75
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1P9L0.75
3382-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3-
BENZOOXAZOL-6-OL
A,B1U3R0.7
0AF7-hydroxy-L-tryptophanL1MAE0.7
0AF7-hydroxy-L-tryptophanL1MAF0.7
UN9N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-
3-YL)CARBONYL]GLYCINE
A2HBT0.75
UN9N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-
3-YL)CARBONYL]GLYCINE
A2HBU0.75
MR54-(1,3-BENZOXAZOL-2-YL)-2,6-DIBROMOPHENOLA,B2QGD0.7
9HP9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINEA1PMU0.71
QNC2-CARBONYLQUINOLINEA,B1MTB0.79
QNC2-CARBONYLQUINOLINEA,B2FGV0.79
QNC2-CARBONYLQUINOLINEI1IVQ0.79
QNC2-CARBONYLQUINOLINEA,B2FGU0.79
QNC2-CARBONYLQUINOLINEA1JLD0.79
QNC2-CARBONYLQUINOLINEA,B1HXB0.79
DK15,7-DICHLORO-4-HYDROXYQUINOLINE-
2-CARBOXYLIC ACID
A,B1PBQ0.83