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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00006422

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2PB2-[(DIOXIDOPHOSPHINO)OXY]BENZOATEA1SDE0.77
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.71
4MA4-METHYLBENZOIC ACIDA,H2HRG0.87
4FCA1YSG0.8
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.73
26CA,B2F7I0.79
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.75
4HP4-HYDROXYPHENYLACETATEA2YYJ0.75
4HP4-HYDROXYPHENYLACETATEA2YYM0.75
4HP4-HYDROXYPHENYLACETATEB1AI60.75
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.75
34D3,5-DIHYDROXYBENZOATEA,B2BX70.74
7912-PHENYLMALONIC ACIDA1O4P0.73
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.71
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.71
5PV5-PHENYLVALERIC ACIDA,B2AY90.76
173BENZOYL-FORMIC ACIDA,B1SZE0.83
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.73
1744-CHLORO-BENZOIC ACIDX3DLP0.82
1744-CHLORO-BENZOIC ACIDX1T5D0.82
2622-FORMYLPHENYL DIHYDROGEN PHOSPHATEA1O4D0.72
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.91
3BZ3-chlorobenzoateX2QVZ0.82
3BZ3-chlorobenzoateX2QVX0.82
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.7
34Z3,4-dichlorobenzoateX2QVY0.78
34Z3,4-dichlorobenzoateX2QW00.78
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.8
3HB3-HYDROXYBENZOIC ACIDA2DKH0.8