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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03540777

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ANFANTHRONEH2BJM0.94
1NP1-NAPHTHOLX2ZVQ0.89
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.88
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.88
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.87
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.87
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.87
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.86
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.86
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.86
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.85
D1NNAPHTHALENE-1,2-DIOLA2EI10.85
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.84
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.83
EZT(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-
1(10),2,4-TRIENE-3,17-DIOL
A,B2P150.83
3695-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-
7-methylnaphthalen-2-ol
A,B3DT30.83
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.82
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.82
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.82
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.82
EQUEQUILENINA,B1OGX0.82
EQUEQUILENINA,B,C,D,E,F1QJG0.82
EQUEQUILENINA,B1OH00.82
EQUEQUILENINA1W6Y0.82
EQUEQUILENINA,B1CQS0.82
EQUEQUILENINA1OGZ0.82
EQUEQUILENINA1GS30.82
EQUEQUILENINA1OHO0.82
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.82
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.82
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.82
2MP3,4-DIMETHYLPHENOLA1L5O0.82
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.82
DESDIETHYLSTILBESTROLA,B3ERD0.82
DESDIETHYLSTILBESTROLA,B1TT60.82
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.82
2NAnaphthalen-2-ylmethanolA,B,C3EE50.81
TBT8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-
8,9,10-TRIOL
A1DJD0.81
ESTESTRADIOLA,B1GWR0.81
ESTESTRADIOLA1FDS0.81
ESTESTRADIOLA,B,C1G500.81
ESTESTRADIOLA,B,C,D,E,F1ERE0.81
ESTESTRADIOLA,B1A520.81
ESTESTRADIOLA1FDT0.81
ESTESTRADIOLA2OCF0.81
ESTESTRADIOLA,B,C1QKU0.81
ESTESTRADIOLA,B,C,D,L1E6W0.81
ESTESTRADIOLA1IOL0.81
ESTESTRADIOLH1JNN0.81
ESTESTRADIOLB1QKT0.81
ESTESTRADIOLA1FDW0.81
ESTESTRADIOLA,B1AQU0.81
ESTESTRADIOLA1LHU0.81
ESTESTRADIOLA1A270.81
ESTESTRADIOLL1JGL0.81
ESTESTRADIOLA,B,E,F1PCG0.81
ESTESTRADIOLA,B,C,D1FDU0.81
ESTESTRADIOLA2J7X0.81
ESTESTRADIOLA,B2D060.81
BZR1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1MXJ0.81
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A,P,T2I9G0.81
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HWV0.81
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A2ROU0.81
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HX40.81
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1DL40.81
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1I7V0.81
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1QBY0.81
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXV0.8
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,E2IBK0.8
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,C,D,E,F2IA60.8
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1Y9H0.8
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1FYY0.8
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXO0.8
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1DXA0.8
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXL0.8
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,D,E,F1S0M0.8
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1BPS0.8
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,C1XC90.8
BPYBIPHENYL-2,3-DIOLA1KMY0.8
BPYBIPHENYL-2,3-DIOLB1KW80.8
BPYBIPHENYL-2,3-DIOLA2EI30.8
BPYBIPHENYL-2,3-DIOLA1EIR0.8
BPYBIPHENYL-2,3-DIOLB1KW60.8
BPYBIPHENYL-2,3-DIOLB1KWC0.8
BPYBIPHENYL-2,3-DIOLB1KW90.8
BPA7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENEA1JDG0.8
TBC(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENEA1N8C0.79
ESLESTRIOLA1X8V0.79
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.79
EPTHEPTANYL-P-PHENOLA,B1AHZ0.79
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.78
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.78
EYK2-tert-butylbenzene-1,4-diolB3EYK0.78
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL
A,B2QGT0.78
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.78
ETY4-ethylphenolA,B,C,D2RA60.78
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.78
2LP2-ALLYLPHENOLA1OV50.78
STLRESVERATROLA,B3CKL0.78
STLRESVERATROLA,B,C,D1U0W0.78
STLRESVERATROLA1CGZ0.78
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.78
STLRESVERATROLA1Z1F0.78
STLRESVERATROLA1DVS0.78
STLRESVERATROLA,B1SG00.78
CRSM-CRESOLA,B,C,D1EV30.77
CRSM-CRESOLA,B,C,D,E,F2OMG0.77
CRSM-CRESOLA,B1UZ90.77
CRSM-CRESOLA,B,C,D1ZEH0.77
CRSM-CRESOLA,B,C,D,E,F1ZEI0.77
CRSM-CRESOLA,C,D,E7INS0.77
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.77
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.77
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5A0.76
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5C0.76
PCRP-CRESOLA1JHV0.76
PCRP-CRESOLA1JHU0.76
PCRP-CRESOLA,B,C,D1DIQ0.76
LZ25-hydroxynaphthalene-1-sulfonamideA2VTH0.76
ECS2,3,17BETA-TRIHYDROXY-1,3,5(10)-
ESTRATRIENE
A,B,C,D2BW70.76
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.76
8PP2-[(2E,6E,10E,14E,18E,22E,26E)-
3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-
2,6,10,14,18,22,26,30-OCTAENYL]PHENOL
A,B,C,D1Y0G0.76
3TN(2E)-3-[4-HYDROXY-3-(3-METHOXY-
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1T0.76
ADL(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-
ANTHRACEN-2-YL)-ACETIC ACID
A,B1N5S0.75
EQIEQUILINA,B1EQU0.75
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.75
LJ33,5-dibromobiphenyl-4-olA,B3CN20.75
TTO(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-
ARSONIUM
A1HYZ0.75
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.74
4TN(2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)-4-HYDROXYPHENYL]ACRYLIC ACID
A2P1U0.74
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.74
MCT4-METHYLCATECHOLA1L4G0.74
MCT4-METHYLCATECHOLA2EHZ0.74
MCT4-METHYLCATECHOLA,B1DMH0.74
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.74
OAL(1,8-DIHYDROXY-9,10-DIOXO-9,10-
DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID
B1N5T0.73
MBD3-METHYLCATECHOLA1KNF0.73
OBPA,B2DE30.73
5TN(2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL-
3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1V0.73
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.73
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.73
TCT6-(4-CHLORO-2-HYDROXY-PHENOXY)-
NAPHTHALEN-2-OL
A,B1NNU0.73
HE74-{[(14beta,17alpha)-3-hydroxyestra-
1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid
A,B,C,D2Z770.73
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.73
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.73
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.72
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.72
HC4A1TS60.72
HC4A3PHY0.72
HC4A3PYP0.72
HC4A1T1C0.72
HC4A1OT60.72
HC4A1TS00.72
HC4A1T1A0.72
HC4A2PYP0.72
HC4A2ZOI0.72
HC4A1OTI0.72
HC4A1XFQ0.72
HC4A2D010.72
HC4A,B,C,D,E,F,
G,H
2O7B0.72
HC4A2ZOH0.72
HC4A1GSW0.72
HC4A2QJ70.72
HC4A1F9I0.72
HC4X1UWP0.72
HC4A2PHY0.72
HC4A1T1B0.72
HC4A1F980.72
HC4A1T190.72
HC4X1UWN0.72
HC4A,B,C,D,E,F,
G,H
2O7F0.72
HC4A1UGU0.72
HC4A1TS80.72
HC4A,B1OTD0.72
HC4A1OTE0.72
HC4A1GSX0.72
HC4A1TS70.72
HC4A2PYR0.72
HC4A1S4S0.72
HC4A1GSV0.72
HC4A2I9V0.72
HC4A2QWS0.72
HC4A1XFN0.72
HC4A1S4R0.72
HC4A1T180.72
HC4A1OTA0.72
HC4A1D7E0.72
HC4A1S1Z0.72
HC4A,B,C1MZU0.72
HC4A,B1ODV0.72
HC4A,B2J3J0.72
HC4A2QJ50.72
HC4A1OTB0.72
HC4A2D020.72
HC4A1OT90.72
HC4A1NWZ0.72
HC4A1S1Y0.72
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.72
2DM2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATEA,B1S880.72
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.72
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.72
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.72
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.72
G24[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-
DIMETHYLPHENOXY]ACETIC ACID
A1Q4X0.72
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.72
C3D(5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-
1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-OL
A2OUZ0.72
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.72
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.72
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.72
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.72
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
A,B2G440.72
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.71
ESM1,3,5(10)-ESTRATRIEN-2,3,17-BETA-
TRIOL 2-METHYL ETHER
A1LHW0.71
PYP2'-DEOXYRIBOFURANOSYLPYRENE-5'-
MONOPHOSPHATE
A,B1FZS0.71
PYP2'-DEOXYRIBOFURANOSYLPYRENE-5'-
MONOPHOSPHATE
A,B1FZL0.71
55E4-(4-hydroxy-3-methylphenyl)-6-
phenylpyrimidin-2(5H)-one
A3DCV0.71
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RH40.71
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B3CSD0.71
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHR0.71
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA1F0Q0.71
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3C130.71
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHC0.71
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3BQC0.71
AEF4-(2-aminoethyl)phenolA3BRA0.71
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.71
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.71
4HP4-HYDROXYPHENYLACETATEA2YYJ0.71
4HP4-HYDROXYPHENYLACETATEA2YYM0.71
4HP4-HYDROXYPHENYLACETATEB1AI60.71
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.71
4594-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-
8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2FAI0.71
LJ22,6-dibromo-4-[(E)-2-phenylethenyl]phenolA,B3CN10.71
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.71
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.71
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.7
B28A,B2E9A0.7
ZTWRALOXIFENE COREA,B1GWQ0.7
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.7
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.7
ESOO3-PHOSPHONOESTRONEB,C1ESS0.7