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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02253167

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SS2(1R)-1-PHENYLETHANOLA1ZK00.79
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.79
SS2(1R)-1-PHENYLETHANOLA1ZJY0.79
3695-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-
7-methylnaphthalen-2-ol
A,B3DT30.72
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.75
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN30.74
B28A,B2E9A0.73
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.74
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
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.77
2DM2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATEA,B1S880.78
ESLESTRIOLA1X8V0.8
4594-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-
8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2FAI0.75
PYP2'-DEOXYRIBOFURANOSYLPYRENE-5'-
MONOPHOSPHATE
A,B1FZS0.79
PYP2'-DEOXYRIBOFURANOSYLPYRENE-5'-
MONOPHOSPHATE
A,B1FZL0.79
TBT8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-
8,9,10-TRIOL
A1DJD0.91
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.76
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.8
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.72
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.71
ENM(5S,8R,9S,10S,13R,14S,17S)-13-{2-
[(3,5-DIFLUOROBENZYL)OXY]ETHYL}-
17-HYDROXY-10-METHYLHEXADECAHYDRO-
3H-CYCLOPENTA[A]PHENANTHREN-3-ONE
A2PNU0.74
TTLTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN50.74
12M(2-ETHYLPHENYL)METHANOLA,B2F620.79
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.7
ECS2,3,17BETA-TRIHYDROXY-1,3,5(10)-
ESTRATRIENE
A,B,C,D2BW70.76
EQUEQUILENINA,B1OGX0.72
EQUEQUILENINA,B,C,D,E,F1QJG0.72
EQUEQUILENINA,B1OH00.72
EQUEQUILENINA1W6Y0.72
EQUEQUILENINA,B1CQS0.72
EQUEQUILENINA1OGZ0.72
EQUEQUILENINA1GS30.72
EQUEQUILENINA1OHO0.72
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.75
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.7
2NAnaphthalen-2-ylmethanolA,B,C3EE50.84
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1DL40.91
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1I7V0.91
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1QBY0.91
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A2ROU0.91
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HX40.91
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.74
DESDIETHYLSTILBESTROLA,B3ERD0.74
DESDIETHYLSTILBESTROLA,B1TT60.74
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.74
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.75
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A,P,T2I9G0.91
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HWV0.91
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.74
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.74
BZR1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1MXJ0.91
PEL2-PHENYL-ETHANOLA,B1I0D0.71
PEL2-PHENYL-ETHANOLD,H2I0T0.71
PEL2-PHENYL-ETHANOLA,B1HZY0.71
PEL2-PHENYL-ETHANOLA,B1I0B0.71
PEL2-PHENYL-ETHANOLA1EYW0.71
PEL2-PHENYL-ETHANOLA,B1JGM0.71
EPTHEPTANYL-P-PHENOLA,B1AHZ0.7
B08A,B2E990.73
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.75
ANFANTHRONEH2BJM0.76
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.8
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.75
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.75
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.73
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXV0.9
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,E2IBK0.9
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,C,D,E,F2IA60.9
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1Y9H0.9
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1FYY0.9
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXO0.9
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1DXA0.9
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXL0.9
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,D,E,F1S0M0.9
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1BPS0.9
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,C1XC90.9
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.71
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.8
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
A,B2G440.74
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.71
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.78
TBC(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENEA1N8C0.84
SS11-PHENYLETHANOLH1UM50.79
6894-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B1ZKY0.74
1NP1-NAPHTHOLX2ZVQ0.73
L79(S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)TETRAHYDRO-
1-BENZOFURAN-2-YL]-2-PROPENOIC ACID
A,D1RDT0.73
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.73
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.74
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.79
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.74
ESM1,3,5(10)-ESTRATRIEN-2,3,17-BETA-
TRIOL 2-METHYL ETHER
A1LHW0.7
OX1H,Y1LO20.75
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.74
HE74-{[(14beta,17alpha)-3-hydroxyestra-
1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid
A,B,C,D2Z770.71
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.74
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.72
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.8
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.8
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.71
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL
A,B2QGT0.81
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.7
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.7
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.71
EZT(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-
1(10),2,4-TRIENE-3,17-DIOL
A,B2P150.76
D1NNAPHTHALENE-1,2-DIOLA2EI10.7
BPA7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENEA1JDG0.9
4584-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
8-METHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2B1V0.72
ESTESTRADIOLA,B1GWR0.8
ESTESTRADIOLA1FDS0.8
ESTESTRADIOLA,B,C1G500.8
ESTESTRADIOLA,B,C,D,E,F1ERE0.8
ESTESTRADIOLA,B1A520.8
ESTESTRADIOLA1FDT0.8
ESTESTRADIOLA2OCF0.8
ESTESTRADIOLA,B,C1QKU0.8
ESTESTRADIOLA,B,C,D,L1E6W0.8
ESTESTRADIOLA1IOL0.8
ESTESTRADIOLH1JNN0.8
ESTESTRADIOLB1QKT0.8
ESTESTRADIOLA1FDW0.8
ESTESTRADIOLA,B1AQU0.8
ESTESTRADIOLA1LHU0.8
ESTESTRADIOLA1A270.8
ESTESTRADIOLL1JGL0.8
ESTESTRADIOLA,B,E,F1PCG0.8
ESTESTRADIOLA,B,C,D1FDU0.8
ESTESTRADIOLA2J7X0.8
ESTESTRADIOLA,B2D060.8
MNN(S)-MANDELIC ACID NITRILEA1YB60.73
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.78