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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00012883

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1744-CHLORO-BENZOIC ACIDX3DLP0.72
1744-CHLORO-BENZOIC ACIDX1T5D0.72
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.8
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.76
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.74
3PL3-PHENYLPROPANALE1Y3G0.76
3BZ3-chlorobenzoateX2QVZ0.72
3BZ3-chlorobenzoateX2QVX0.72
0A9methyl L-phenylalaninateA1AY20.73
0A9methyl L-phenylalaninateI5ER10.73
0A9methyl L-phenylalaninateI,P1HDT0.73
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.8
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.78
4HP4-HYDROXYPHENYLACETATEA2YYJ0.78
4HP4-HYDROXYPHENYLACETATEA2YYM0.78
4HP4-HYDROXYPHENYLACETATEB1AI60.78
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.78
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.7
3HB3-HYDROXYBENZOIC ACIDA2DKH0.7
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.76
173BENZOYL-FORMIC ACIDA,B1SZE0.84
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.81
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.81
4FCA1YSG0.77
4PH4-methyl-L-phenylalanineB,C3BV90.71
23N(2R)-2-benzyl-3-nitropropanoic acidA2RFH0.71
4MA4-METHYLBENZOIC ACIDA,H2HRG0.78
1LPTRANYLCYPROMINEA,B1OJB0.74
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.74
26CA,B2F7I0.77