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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00021431

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4FCA1YSG0.79
1744-CHLORO-BENZOIC ACIDX3DLP0.74
1744-CHLORO-BENZOIC ACIDX1T5D0.74
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.74
4HP4-HYDROXYPHENYLACETATEA2YYJ0.74
4HP4-HYDROXYPHENYLACETATEA2YYM0.74
4HP4-HYDROXYPHENYLACETATEB1AI60.74
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.74
3BZ3-chlorobenzoateX2QVZ0.74
3BZ3-chlorobenzoateX2QVX0.74
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.74
3HB3-HYDROXYBENZOIC ACIDA2DKH0.74
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.81
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.75
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.7
173BENZOYL-FORMIC ACIDA,B1SZE0.9
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.74
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.73
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.73
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.79
2PB2-[(DIOXIDOPHOSPHINO)OXY]BENZOATEA1SDE0.71
23N(2R)-2-benzyl-3-nitropropanoic acidA2RFH0.71
0A9methyl L-phenylalaninateA1AY20.71
0A9methyl L-phenylalaninateI5ER10.71
0A9methyl L-phenylalaninateI,P1HDT0.71
26CA,B2F7I0.78
34Z3,4-dichlorobenzoateX2QVY0.7
34Z3,4-dichlorobenzoateX2QW00.7
1LPTRANYLCYPROMINEA,B1OJB0.74
3PL3-PHENYLPROPANALE1Y3G0.74
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.71