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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02176886

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.74
23A2,3-DIHYDROXYBENZALDEHYDEA,B,C,D2DVX0.74
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.81
34D3,5-DIHYDROXYBENZOATEA,B2BX70.91
3CAA,B2B770.77
219CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4I0.71
2PB2-[(DIOXIDOPHOSPHINO)OXY]BENZOATEA1SDE0.74
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.84
3HB3-HYDROXYBENZOIC ACIDA2DKH0.84
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.73
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.76
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.74
2HI(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-
2,3-DIHYDRO-4H-CHROMEN-4-ONE
A1ZG30.73
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.74
4FCA1YSG0.78
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
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.7
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.7
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.83
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.83
3972-(4-HYDROXY-PHENYL)BENZOFURAN-
5-OL
A,B1U9E0.73
26CA,B2F7I0.77
1NP1-NAPHTHOLX2ZVQ0.7