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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00013271

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.75
BPYBIPHENYL-2,3-DIOLA1KMY0.77
BPYBIPHENYL-2,3-DIOLB1KW80.77
BPYBIPHENYL-2,3-DIOLA2EI30.77
BPYBIPHENYL-2,3-DIOLA1EIR0.77
BPYBIPHENYL-2,3-DIOLB1KW60.77
BPYBIPHENYL-2,3-DIOLB1KWC0.77
BPYBIPHENYL-2,3-DIOLB1KW90.77
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.75
AZNALIZARIN REDH,I,J,K,L,M,
N,O
1OAR0.7
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.72
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.78
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.71
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.71
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.74
2MP3,4-DIMETHYLPHENOLA1L5O0.75
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,D1Y0G0.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.75
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.75
2LP2-ALLYLPHENOLA1OV50.75
2NAnaphthalen-2-ylmethanolA,B,C3EE50.71
1NP1-NAPHTHOLX2ZVQ0.85
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.74
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.71
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.73
ANFANTHRONEH2BJM0.8
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.71