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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00010718

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFK0.73
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFQ0.73
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1Z9Y0.73
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZH90.73
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGE0.73
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGF0.73
34D3,5-DIHYDROXYBENZOATEA,B2BX70.78
AC6P-HYDROXYACETOPHENONEA2GQ80.73
AC6P-HYDROXYACETOPHENONEX2O480.73
3CAA,B2B770.72
23A2,3-DIHYDROXYBENZALDEHYDEA,B,C,D2DVX0.75
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.77
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.77
AZNALIZARIN REDH,I,J,K,L,M,
N,O
1OAR0.74
4MA4-METHYLBENZOIC ACIDA,H2HRG0.71
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.75
4HP4-HYDROXYPHENYLACETATEA2YYJ0.75
4HP4-HYDROXYPHENYLACETATEA2YYM0.75
4HP4-HYDROXYPHENYLACETATEB1AI60.75
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.75
5PH5-[5-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-
5-PHENYL-PENTYLSULFAMOYL]-2-HYDROXY-
BENZOIC ACID
A1RWV0.7
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.74
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.79
3HB3-HYDROXYBENZOIC ACIDA2DKH0.79
1592-HYDROXY-5-(2-MERCAPTO-ETHYLSULFAMOYL)-
BENZOIC ACID
A,B1NME0.85
2PB2-[(DIOXIDOPHOSPHINO)OXY]BENZOATEA1SDE0.79
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.72
2622-FORMYLPHENYL DIHYDROGEN PHOSPHATEA1O4D0.73
219CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4I0.7
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.75
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.77
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.77
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.77
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.77
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.77
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.77
ADL(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-
ANTHRACEN-2-YL)-ACETIC ACID
A,B1N5S0.71