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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02884527

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.71
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.78
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.75
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.72
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.72
BIHNAPHTHALENE-2,6-DISULFONIC ACIDA1U4S0.71
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.7
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.71
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.72
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.71
ANFANTHRONEH2BJM0.73
AZNALIZARIN REDH,I,J,K,L,M,
N,O
1OAR0.73
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.72
D1NNAPHTHALENE-1,2-DIOLA2EI10.76
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.71
DESDIETHYLSTILBESTROLA,B3ERD0.71
DESDIETHYLSTILBESTROLA,B1TT60.71
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.71
NTSNAPHTHALENE TRISULFONATEA1RML0.71
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.7
OBPA,B2DE30.83
2MP3,4-DIMETHYLPHENOLA1L5O0.71
LZ25-hydroxynaphthalene-1-sulfonamideA2VTH0.86
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.71
1NP1-NAPHTHOLX2ZVQ0.77