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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00007463

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1LPTRANYLCYPROMINEA,B1OJB0.81
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.71
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.71
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.73
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.72
24I(2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACIDA2C6C0.72
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.71
3PL3-PHENYLPROPANALE1Y3G0.79
23N(2R)-2-benzyl-3-nitropropanoic acidA2RFH0.78
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.75
4HP4-HYDROXYPHENYLACETATEA2YYJ0.75
4HP4-HYDROXYPHENYLACETATEA2YYM0.75
4HP4-HYDROXYPHENYLACETATEB1AI60.75
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.75
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.74
0A9methyl L-phenylalaninateA1AY20.77
0A9methyl L-phenylalaninateI5ER10.77
0A9methyl L-phenylalaninateI,P1HDT0.77
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.76
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.76
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.74
1ZN(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-
2,6,8-trimethyl-10-phenyldeca-4,6-
dienoic acid
C,F,M,N2IAE0.71
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.75
4FCA1YSG0.73
173BENZOYL-FORMIC ACIDA,B1SZE0.79
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.77
26CA,B2F7I0.72