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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00002856

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.71
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.72
4HP4-HYDROXYPHENYLACETATEA2YYJ0.72
4HP4-HYDROXYPHENYLACETATEA2YYM0.72
4HP4-HYDROXYPHENYLACETATEB1AI60.72
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.72
247(3R)-3-amino-2,2-difluoro-3-(4-
hydroxyphenyl)propanoic acid
A,B2QVE0.76
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.73
2MP3,4-DIMETHYLPHENOLA1L5O0.78
AEF4-(2-aminoethyl)phenolA3BRA0.9
142CARBIDOPAA,B1JS30.78
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.71
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,D1Y0G0.74
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.75
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.75
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid
A3CBG0.7
1NP1-NAPHTHOLX2ZVQ0.73
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.8
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.74
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.72
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.73
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.84
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.73
2AC2-AMINO-P-CRESOLH,I1A2C0.72
2AC2-AMINO-P-CRESOLA1L4M0.72
2LP2-ALLYLPHENOLA1OV50.77