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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02791975

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-DIOLA2EI00.73
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.76
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN30.74
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.71
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.71
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.7
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.7
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.7
FBCA,B2B9A0.71
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.75
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.72
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXV0.74
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,E2IBK0.74
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,C,D,E,F2IA60.74
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1Y9H0.74
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1FYY0.74
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXO0.74
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1DXA0.74
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXL0.74
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,D,E,F1S0M0.74
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1BPS0.74
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,C1XC90.74
MNN(S)-MANDELIC ACID NITRILEA1YB60.76
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.72
DESDIETHYLSTILBESTROLA,B3ERD0.72
DESDIETHYLSTILBESTROLA,B1TT60.72
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.72
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.72
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.74
SS2(1R)-1-PHENYLETHANOLA1ZK00.81
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.81
SS2(1R)-1-PHENYLETHANOLA1ZJY0.81
BPYBIPHENYL-2,3-DIOLA1KMY0.73
BPYBIPHENYL-2,3-DIOLB1KW80.73
BPYBIPHENYL-2,3-DIOLA2EI30.73
BPYBIPHENYL-2,3-DIOLA1EIR0.73
BPYBIPHENYL-2,3-DIOLB1KW60.73
BPYBIPHENYL-2,3-DIOLB1KWC0.73
BPYBIPHENYL-2,3-DIOLB1KW90.73
BPA7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENEA1JDG0.74
TTLTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN50.74
RSOR-STYRENE OXIDEA,B1PWZ0.72
26CA,B2F7I0.71
EPTHEPTANYL-P-PHENOLA,B1AHZ0.72
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.7
EYK2-tert-butylbenzene-1,4-diolB3EYK0.7
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.76
2MP3,4-DIMETHYLPHENOLA1L5O0.73
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.74
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.77
OBPA,B2DE30.72
ANFANTHRONEH2BJM0.74
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.73
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.76
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.75
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.75
4FCA1YSG0.72
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.8
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.75
2NAnaphthalen-2-ylmethanolA,B,C3EE50.88
TBC(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENEA1N8C0.74
BFLA,B1Q4G0.7
ETY4-ethylphenolA,B,C,D2RA60.7
SS11-PHENYLETHANOLH1UM50.81
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.78
12M(2-ETHYLPHENYL)METHANOLA,B2F620.85
TBT8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-
8,9,10-TRIOL
A1DJD0.76
1NP1-NAPHTHOLX2ZVQ0.75
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1DL40.76
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1I7V0.76
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1QBY0.76
OBZO-benzylhydroxylamineA,B3DTH0.73
OBZO-benzylhydroxylamineA,B3DTG0.73
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A2ROU0.76
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HX40.76
BZR1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1MXJ0.76
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A,P,T2I9G0.76
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HWV0.76
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.75
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.71
B28A,B2E9A0.71
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.72
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.77
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.77
2LP2-ALLYLPHENOLA1OV50.72
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.72
DFADIPHENYLACETIC ACIDA,B,C1GMY0.7
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.71
341(3,5-difluorophenyl)methanolC3EON0.76
PEL2-PHENYL-ETHANOLA,B1I0D0.78
PEL2-PHENYL-ETHANOLD,H2I0T0.78
PEL2-PHENYL-ETHANOLA,B1HZY0.78
PEL2-PHENYL-ETHANOLA,B1I0B0.78
PEL2-PHENYL-ETHANOLA1EYW0.78
PEL2-PHENYL-ETHANOLA,B1JGM0.78
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.72
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.78