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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01078991

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AZNALIZARIN REDH,I,J,K,L,M,
N,O
1OAR0.72
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.71
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.7
DESDIETHYLSTILBESTROLA,B3ERD0.7
DESDIETHYLSTILBESTROLA,B1TT60.7
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.7
OBPA,B2DE30.85
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.78
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.73
NTSNAPHTHALENE TRISULFONATEA1RML0.72
1NP1-NAPHTHOLX2ZVQ0.8
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.73
BPYBIPHENYL-2,3-DIOLA1KMY0.72
BPYBIPHENYL-2,3-DIOLB1KW80.72
BPYBIPHENYL-2,3-DIOLA2EI30.72
BPYBIPHENYL-2,3-DIOLA1EIR0.72
BPYBIPHENYL-2,3-DIOLB1KW60.72
BPYBIPHENYL-2,3-DIOLB1KWC0.72
BPYBIPHENYL-2,3-DIOLB1KW90.72
2MP3,4-DIMETHYLPHENOLA1L5O0.7
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.71
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.7
ANFANTHRONEH2BJM0.75
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.77
LZ25-hydroxynaphthalene-1-sulfonamideA2VTH0.88
ZTWRALOXIFENE COREA,B1GWQ0.7
D1NNAPHTHALENE-1,2-DIOLA2EI10.76
BIHNAPHTHALENE-2,6-DISULFONIC ACIDA1U4S0.72
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.71
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.71
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.71