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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03374972

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
B28A,B2E9A0.73
B08A,B2E990.72
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.74
EQUEQUILENINA,B1OGX0.74
EQUEQUILENINA,B,C,D,E,F1QJG0.74
EQUEQUILENINA,B1OH00.74
EQUEQUILENINA1W6Y0.74
EQUEQUILENINA,B1CQS0.74
EQUEQUILENINA1OGZ0.74
EQUEQUILENINA1GS30.74
EQUEQUILENINA1OHO0.74
TBC(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENEA1N8C0.82
2DM2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATEA,B1S880.78
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.73
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.83
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.74
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN30.73
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL
A,B2QGT0.74
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.77
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.77
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.72
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.72
SS11-PHENYLETHANOLH1UM50.78
12M(2-ETHYLPHENYL)METHANOLA,B2F620.8
2MP3,4-DIMETHYLPHENOLA1L5O0.7
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.71
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.72
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.79
PYP2'-DEOXYRIBOFURANOSYLPYRENE-5'-
MONOPHOSPHATE
A,B1FZS0.76
PYP2'-DEOXYRIBOFURANOSYLPYRENE-5'-
MONOPHOSPHATE
A,B1FZL0.76
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.74
2NAnaphthalen-2-ylmethanolA,B,C3EE50.91
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.72
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.8
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.74
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.71
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.71
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.74
4594-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-
8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2FAI0.7
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.74
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.73
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.75
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.75
DESDIETHYLSTILBESTROLA,B3ERD0.75
DESDIETHYLSTILBESTROLA,B1TT60.75
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.75
EZT(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-
1(10),2,4-TRIENE-3,17-DIOL
A,B2P150.72
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.71
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.72
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.72
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.72
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.72
BPYBIPHENYL-2,3-DIOLA1KMY0.74
BPYBIPHENYL-2,3-DIOLB1KW80.74
BPYBIPHENYL-2,3-DIOLA2EI30.74
BPYBIPHENYL-2,3-DIOLA1EIR0.74
BPYBIPHENYL-2,3-DIOLB1KW60.74
BPYBIPHENYL-2,3-DIOLB1KWC0.74
BPYBIPHENYL-2,3-DIOLB1KW90.74
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.77
TTLTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN50.73
RMN(R)-MANDELIC ACIDA1MDL0.71
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.71
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.7
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.75
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.75
ECS2,3,17BETA-TRIHYDROXY-1,3,5(10)-
ESTRATRIENE
A,B,C,D2BW70.75
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.75
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.75
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.76
MNN(S)-MANDELIC ACID NITRILEA1YB60.72
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.75
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.76
ANFANTHRONEH2BJM0.79
ESTESTRADIOLA,B1GWR0.76
ESTESTRADIOLA1FDS0.76
ESTESTRADIOLA,B,C1G500.76
ESTESTRADIOLA,B,C,D,E,F1ERE0.76
ESTESTRADIOLA,B1A520.76
ESTESTRADIOLA1FDT0.76
ESTESTRADIOLA2OCF0.76
ESTESTRADIOLA,B,C1QKU0.76
ESTESTRADIOLA,B,C,D,L1E6W0.76
ESTESTRADIOLA1IOL0.76
ESTESTRADIOLH1JNN0.76
ESTESTRADIOLB1QKT0.76
ESTESTRADIOLA1FDW0.76
ESTESTRADIOLA,B1AQU0.76
ESTESTRADIOLA1LHU0.76
ESTESTRADIOLA1A270.76
ESTESTRADIOLL1JGL0.76
ESTESTRADIOLA,B,E,F1PCG0.76
ESTESTRADIOLA,B,C,D1FDU0.76
ESTESTRADIOLA2J7X0.76
ESTESTRADIOLA,B2D060.76
SS2(1R)-1-PHENYLETHANOLA1ZK00.78
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.78
SS2(1R)-1-PHENYLETHANOLA1ZJY0.78
BPA7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENEA1JDG0.87
TBT8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-
8,9,10-TRIOL
A1DJD0.88
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol
A2ZFX0.7
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
SMN(S)-MANDELIC ACIDA1MDL0.71
R133-METHYL-7-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL) -OCTA-2,4,6-TRIENOIC ACID
A2CBS0.71
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.83
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.74
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.74
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.71
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A,P,T2I9G0.88
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HWV0.88
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.72
OX1H,Y1LO20.72
BZR1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1MXJ0.88
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.71
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXV0.87
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,E2IBK0.87
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,C,D,E,F2IA60.87
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1Y9H0.87
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1FYY0.87
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXO0.87
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1DXA0.87
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXL0.87
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,D,E,F1S0M0.87
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1BPS0.87
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,C1XC90.87
1NP1-NAPHTHOLX2ZVQ0.77
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,D1RDT0.72
PEL2-PHENYL-ETHANOLA,B1I0D0.72
PEL2-PHENYL-ETHANOLD,H2I0T0.72
PEL2-PHENYL-ETHANOLA,B1HZY0.72
PEL2-PHENYL-ETHANOLA,B1I0B0.72
PEL2-PHENYL-ETHANOLA1EYW0.72
PEL2-PHENYL-ETHANOLA,B1JGM0.72
D1NNAPHTHALENE-1,2-DIOLA2EI10.77
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1DL40.88
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1I7V0.88
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1QBY0.88
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A2ROU0.88
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HX40.88
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.75
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.75
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.71
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.72
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.77
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
A,B2G440.7
EPTHEPTANYL-P-PHENOLA,B1AHZ0.71
ESLESTRIOLA1X8V0.77
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.74