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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00002697

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
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine
A2VIN0.7
4NL4-AMINOPHENOLA2ORL0.73
2AF2-AMINOPHENOLA1L4N0.71
AC6P-HYDROXYACETOPHENONEA2GQ80.72
AC6P-HYDROXYACETOPHENONEX2O480.72
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.86
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.91
247(3R)-3-amino-2,2-difluoro-3-(4-
hydroxyphenyl)propanoic acid
A,B2QVE0.78
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.76
4HP4-HYDROXYPHENYLACETATEA2YYJ0.76
4HP4-HYDROXYPHENYLACETATEA2YYM0.76
4HP4-HYDROXYPHENYLACETATEB1AI60.76
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.76
2LP2-ALLYLPHENOLA1OV50.84
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.75
1NP1-NAPHTHOLX2ZVQ0.75
AEF4-(2-aminoethyl)phenolA3BRA1
2MP3,4-DIMETHYLPHENOLA1L5O0.82
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,D1Y0G0.8
2AC2-AMINO-P-CRESOLH,I1A2C0.78
2AC2-AMINO-P-CRESOLA1L4M0.78
43M4-CHLORO-3-METHYLPHENOLA2P7A0.71
12M(2-ETHYLPHENYL)METHANOLA,B2F620.7
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.77
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.77
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.77