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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03017062

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BZBBENZO[B]THIOPHENE-2-BORONIC ACIDA,B3FKV0.72
BZBBENZO[B]THIOPHENE-2-BORONIC ACIDA,B1C3B0.72
BPYBIPHENYL-2,3-DIOLA1KMY0.7
BPYBIPHENYL-2,3-DIOLB1KW80.7
BPYBIPHENYL-2,3-DIOLA2EI30.7
BPYBIPHENYL-2,3-DIOLA1EIR0.7
BPYBIPHENYL-2,3-DIOLB1KW60.7
BPYBIPHENYL-2,3-DIOLB1KWC0.7
BPYBIPHENYL-2,3-DIOLB1KW90.7
ETY4-ethylphenolA,B,C,D2RA60.71
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.72
ZTWRALOXIFENE COREA,B1GWQ1
EPTHEPTANYL-P-PHENOLA,B1AHZ0.72
2LP2-ALLYLPHENOLA1OV50.71
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.71
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.74
DESDIETHYLSTILBESTROLA,B3ERD0.74
DESDIETHYLSTILBESTROLA,B1TT60.74
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.74
1NP1-NAPHTHOLX2ZVQ0.71
2C72-(cycloheptylmethyl)-1,1-dioxido-
1-benzothiophen-6-yl sulfamate
A3DD80.77
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.73
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.73
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.8
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.71
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.73
OBPA,B2DE30.76
W294-(3-ethylthiophen-2-yl)benzene-
1,2-diol
A3D270.83
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.71
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.72
LZ25-hydroxynaphthalene-1-sulfonamideA2VTH0.72