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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00024627

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid
A3CBG0.76
3MB3-METHOXYBENZAMIDEA3PAX0.81
34D3,5-DIHYDROXYBENZOATEA,B2BX70.77
2PB2-[(DIOXIDOPHOSPHINO)OXY]BENZOATEA1SDE0.74
23A2,3-DIHYDROXYBENZALDEHYDEA,B,C,D2DVX0.72
26CA,B2F7I0.71
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.74
4HP4-HYDROXYPHENYLACETATEA2YYJ0.74
4HP4-HYDROXYPHENYLACETATEA2YYM0.74
4HP4-HYDROXYPHENYLACETATEB1AI60.74
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.74
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.73
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.73
296(3R)-3-amino-2,2-difluoro-3-(4-
methoxyphenyl)propanoic acid
A,B2RJS0.71
2622-FORMYLPHENYL DIHYDROGEN PHOSPHATEA1O4D0.71
4FCA1YSG0.72
3972-(4-HYDROXY-PHENYL)BENZOFURAN-
5-OL
A,B1U9E0.7
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.72
3TN(2E)-3-[4-HYDROXY-3-(3-METHOXY-
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1T0.71
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.83
3HB3-HYDROXYBENZOIC ACIDA2DKH0.83
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.72
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.73
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.74
3002-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATEA1O410.78
34C(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACIDA,B1HT80.72