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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00007024

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
173BENZOYL-FORMIC ACIDA,B1SZE0.86
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.83
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.83
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.82
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.82
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.79
4HP4-HYDROXYPHENYLACETATEA2YYJ0.79
4HP4-HYDROXYPHENYLACETATEA2YYM0.79
4HP4-HYDROXYPHENYLACETATEB1AI60.79
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.79
3PL3-PHENYLPROPANALE1Y3G0.78
1LPTRANYLCYPROMINEA,B1OJB0.76
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.76
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.75
4FCA1YSG0.75
0A9methyl L-phenylalaninateA1AY20.74
0A9methyl L-phenylalaninateI5ER10.74
0A9methyl L-phenylalaninateI,P1HDT0.74
1744-CHLORO-BENZOIC ACIDX3DLP0.74
1744-CHLORO-BENZOIC ACIDX1T5D0.74
3BZ3-chlorobenzoateX2QVZ0.74
3BZ3-chlorobenzoateX2QVX0.74
26CA,B2F7I0.74
23N(2R)-2-benzyl-3-nitropropanoic acidA2RFH0.73
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.73
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.73
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.72
3HB3-HYDROXYBENZOIC ACIDA2DKH0.72
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5U0.7
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B3E6B0.7
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5X0.7
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B2H6B0.7
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDC3E6C0.7
34Z3,4-dichlorobenzoateX2QVY0.7
34Z3,4-dichlorobenzoateX2QW00.7