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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02176264

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.71
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.71
24I(2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACIDA2C6C0.72
3PL3-PHENYLPROPANALE1Y3G0.79
23N(2R)-2-benzyl-3-nitropropanoic acidA2RFH0.78
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.75
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.75
4HP4-HYDROXYPHENYLACETATEA2YYJ0.75
4HP4-HYDROXYPHENYLACETATEA2YYM0.75
4HP4-HYDROXYPHENYLACETATEB1AI60.75
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.75
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.76
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.76
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.79
7912-PHENYLMALONIC ACIDA1O4P0.85
4PH4-methyl-L-phenylalanineB,C3BV90.76
4MA4-METHYLBENZOIC ACIDA,H2HRG0.75
1LPTRANYLCYPROMINEA,B1OJB0.77
5PV5-PHENYLVALERIC ACIDA,B2AY90.94
0A9methyl L-phenylalaninateA1AY20.76
0A9methyl L-phenylalaninateI5ER10.76
0A9methyl L-phenylalaninateI,P1HDT0.76
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.77
4FCA1YSG0.73
173BENZOYL-FORMIC ACIDA,B1SZE0.79
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.73
26CA,B2F7I0.72