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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00004271

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
3TN(2E)-3-[4-HYDROXY-3-(3-METHOXY-
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1T0.73
3002-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATEA1O410.8
219CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4I0.71
3MB3-METHOXYBENZAMIDEA3PAX0.83
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.85
3HB3-HYDROXYBENZOIC ACIDA2DKH0.85
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.74
3972-(4-HYDROXY-PHENYL)BENZOFURAN-
5-OL
A,B1U9E0.72
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.74
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.71
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.71
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid
A3CBG0.78
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.76
4HP4-HYDROXYPHENYLACETATEA2YYJ0.76
4HP4-HYDROXYPHENYLACETATEA2YYM0.76
4HP4-HYDROXYPHENYLACETATEB1AI60.76
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.76
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.71
34D3,5-DIHYDROXYBENZOATEA,B2BX70.79
2622-FORMYLPHENYL DIHYDROGEN PHOSPHATEA1O4D0.73
2PB2-[(DIOXIDOPHOSPHINO)OXY]BENZOATEA1SDE0.76
34C(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACIDA,B1HT80.74
173BENZOYL-FORMIC ACIDA,B1SZE0.71
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.75
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.75