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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02864361

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BPA7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENEA1JDG0.72
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A,P,T2I9G0.73
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HWV0.73
BZR1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1MXJ0.73
ANFANTHRONEH2BJM0.7
LJ33,5-dibromobiphenyl-4-olA,B3CN20.82
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.71
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1DL40.73
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1I7V0.73
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1QBY0.73
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.73
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A2ROU0.73
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HX40.73
12M(2-ETHYLPHENYL)METHANOLA,B2F620.8
2MP3,4-DIMETHYLPHENOLA1L5O0.7
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.72
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.71
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.73
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.71
SS2(1R)-1-PHENYLETHANOLA1ZK00.82
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.82
SS2(1R)-1-PHENYLETHANOLA1ZJY0.82
LJ22,6-dibromo-4-[(E)-2-phenylethenyl]phenolA,B3CN10.77
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.77
TBT8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-
8,9,10-TRIOL
A1DJD0.73
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXV0.72
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,E2IBK0.72
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,C,D,E,F2IA60.72
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1Y9H0.72
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1FYY0.72
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXO0.72
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1DXA0.72
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXL0.72
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,D,E,F1S0M0.72
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1BPS0.72
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,C1XC90.72
TBC(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENEA1N8C0.71
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.72
2NAnaphthalen-2-ylmethanolA,B,C3EE50.81
BPYBIPHENYL-2,3-DIOLA1KMY0.71
BPYBIPHENYL-2,3-DIOLB1KW80.71
BPYBIPHENYL-2,3-DIOLA2EI30.71
BPYBIPHENYL-2,3-DIOLA1EIR0.71
BPYBIPHENYL-2,3-DIOLB1KW60.71
BPYBIPHENYL-2,3-DIOLB1KWC0.71
BPYBIPHENYL-2,3-DIOLB1KW90.71
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.71
DESDIETHYLSTILBESTROLA,B3ERD0.71
DESDIETHYLSTILBESTROLA,B1TT60.71
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.71
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.75
PEL2-PHENYL-ETHANOLA,B1I0D0.73
PEL2-PHENYL-ETHANOLD,H2I0T0.73
PEL2-PHENYL-ETHANOLA,B1HZY0.73
PEL2-PHENYL-ETHANOLA,B1I0B0.73
PEL2-PHENYL-ETHANOLA1EYW0.73
PEL2-PHENYL-ETHANOLA,B1JGM0.73
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.74
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.74
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.75
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.74
TTLTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN50.71
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.72
SS11-PHENYLETHANOLH1UM50.82
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.71
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.73
MNN(S)-MANDELIC ACID NITRILEA1YB60.75
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.72
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.72
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.71
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.74
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.86
341(3,5-difluorophenyl)methanolC3EON0.71
RSOR-STYRENE OXIDEA,B1PWZ0.71
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN30.71
1NP1-NAPHTHOLX2ZVQ0.7
EPTHEPTANYL-P-PHENOLA,B1AHZ0.71