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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03783098

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.9
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.72
4HP4-HYDROXYPHENYLACETATEA2YYJ0.72
4HP4-HYDROXYPHENYLACETATEA2YYM0.72
4HP4-HYDROXYPHENYLACETATEB1AI60.72
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.72
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.72
8PP2-[(2E,6E,10E,14E,18E,22E,26E)-
3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-
2,6,10,14,18,22,26,30-OCTAENYL]PHENOL
A,B,C,D1Y0G0.77
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.89
2LP2-ALLYLPHENOLA1OV50.81
1NP1-NAPHTHOLX2ZVQ0.76
296(3R)-3-amino-2,2-difluoro-3-(4-
methoxyphenyl)propanoic acid
A,B2RJS0.71
AEF4-(2-aminoethyl)phenolA3BRA0.92
2AC2-AMINO-P-CRESOLH,I1A2C0.73
2AC2-AMINO-P-CRESOLA1L4M0.73
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.75
2MP3,4-DIMETHYLPHENOLA1L5O0.79
247(3R)-3-amino-2,2-difluoro-3-(4-
hydroxyphenyl)propanoic acid
A,B2QVE0.78
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.73
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.72
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.86
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.74
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.74
142CARBIDOPAA,B1JS30.71
43M4-CHLORO-3-METHYLPHENOLA2P7A0.71
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.81