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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02865526

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.77
0A9methyl L-phenylalaninateA1AY20.74
0A9methyl L-phenylalaninateI5ER10.74
0A9methyl L-phenylalaninateI,P1HDT0.74
23N(2R)-2-benzyl-3-nitropropanoic acidA2RFH0.74
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.77
26CA,B2F7I0.71
1ZN(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-
2,6,8-trimethyl-10-phenyldeca-4,6-
dienoic acid
C,F,M,N2IAE0.73
2004-CHLORO-L-PHENYLALANINEA,B2AKW0.73
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.72
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.73
4HP4-HYDROXYPHENYLACETATEA2YYJ0.73
4HP4-HYDROXYPHENYLACETATEA2YYM0.73
4HP4-HYDROXYPHENYLACETATEB1AI60.73
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.73
296(3R)-3-amino-2,2-difluoro-3-(4-
methoxyphenyl)propanoic acid
A,B2RJS0.71
173BENZOYL-FORMIC ACIDA,B1SZE0.72
4FCA1YSG0.72
4BF4-BROMO-L-PHENYLALANINEA2AG60.73
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.82
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.7
247(3R)-3-amino-2,2-difluoro-3-(4-
hydroxyphenyl)propanoic acid
A,B2QVE0.77
142CARBIDOPAA,B1JS30.71
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.72
4MA4-METHYLBENZOIC ACIDA,H2HRG0.72
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.75