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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01728019

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2PB2-[(DIOXIDOPHOSPHINO)OXY]BENZOATEA1SDE0.72
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.77
4HP4-HYDROXYPHENYLACETATEA2YYJ0.77
4HP4-HYDROXYPHENYLACETATEA2YYM0.77
4HP4-HYDROXYPHENYLACETATEB1AI60.77
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.77
34Z3,4-dichlorobenzoateX2QVY0.82
34Z3,4-dichlorobenzoateX2QW00.82
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.72
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.72
2CH2-CHLOROPHENOLA1WBO0.73
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.7
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.7
3BZ3-chlorobenzoateX2QVZ0.84
3BZ3-chlorobenzoateX2QVX0.84
1744-CHLORO-BENZOIC ACIDX3DLP0.85
1744-CHLORO-BENZOIC ACIDX1T5D0.85
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.76
34C(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACIDA,B1HT80.75
3CAA,B2B770.81
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.77
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5U0.88
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B3E6B0.88
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5X0.88
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B2H6B0.88
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDC3E6C0.88
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.75
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.88
3HB3-HYDROXYBENZOIC ACIDA2DKH0.88
4AA4-CHLORO-3-HYDROXYANTHRANILIC ACIDA1YFW0.78
4AA4-CHLORO-3-HYDROXYANTHRANILIC ACIDA1YFX0.78
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.72
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.72
43M4-CHLORO-3-METHYLPHENOLA2P7A0.76
34D3,5-DIHYDROXYBENZOATEA,B2BX70.82
23A2,3-DIHYDROXYBENZALDEHYDEA,B,C,D2DVX0.76