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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03345986

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
23A2,3-DIHYDROXYBENZALDEHYDEA,B,C,D2DVX0.74
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.8
2PB2-[(DIOXIDOPHOSPHINO)OXY]BENZOATEA1SDE0.74
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5U0.74
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B3E6B0.74
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5X0.74
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B2H6B0.74
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDC3E6C0.74
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.71
2LP2-ALLYLPHENOLA1OV50.71
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.83
3CAA,B2B770.74
2992,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATEA1O4E0.71
2622-FORMYLPHENYL DIHYDROGEN PHOSPHATEA1O4D0.71
173BENZOYL-FORMIC ACIDA,B1SZE0.72
4FCA1YSG0.72
3BZ3-chlorobenzoateX2QVZ0.71
3BZ3-chlorobenzoateX2QVX0.71
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.79
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.79
1592-HYDROXY-5-(2-MERCAPTO-ETHYLSULFAMOYL)-
BENZOIC ACID
A,B1NME0.74
1744-CHLORO-BENZOIC ACIDX3DLP0.71
1744-CHLORO-BENZOIC ACIDX1T5D0.71
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.83
3HB3-HYDROXYBENZOIC ACIDA2DKH0.83
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.77
34D3,5-DIHYDROXYBENZOATEA,B2BX70.8
26CA,B2F7I0.72