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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02742287

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]PYRENEA1JDG0.77
W294-(3-ethylthiophen-2-yl)benzene-
1,2-diol
A3D270.72
CRSM-CRESOLA,B,C,D1EV30.74
CRSM-CRESOLA,B,C,D,E,F2OMG0.74
CRSM-CRESOLA,B1UZ90.74
CRSM-CRESOLA,B,C,D1ZEH0.74
CRSM-CRESOLA,B,C,D,E,F1ZEI0.74
CRSM-CRESOLA,C,D,E7INS0.74
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.74
OAL(1,8-DIHYDROXY-9,10-DIOXO-9,10-
DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID
B1N5T0.73
SDT3,4-dihydroxy-9,10-secoandrosta-
1(10),2,4-triene-9,17-dione
A,B2ZI80.75
4TN(2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)-4-HYDROXYPHENYL]ACRYLIC ACID
A2P1U0.73
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.74
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.74
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.74
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.74
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.74
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.74
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.74
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.74
3TN(2E)-3-[4-HYDROXY-3-(3-METHOXY-
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1T0.75
EQIEQUILINA,B1EQU0.73
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.89
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.81
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.75
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.8
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5A0.76
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5C0.76
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL
A,B2QGT0.75
2NAnaphthalen-2-ylmethanolA,B,C3EE50.78
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.7
4HP4-HYDROXYPHENYLACETATEA2YYJ0.7
4HP4-HYDROXYPHENYLACETATEA2YYM0.7
4HP4-HYDROXYPHENYLACETATEB1AI60.7
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.7
ADL(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-
ANTHRACEN-2-YL)-ACETIC ACID
A,B1N5S0.74
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.71
G24[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-
DIMETHYLPHENOXY]ACETIC ACID
A1Q4X0.74
ESTESTRADIOLA,B1GWR0.78
ESTESTRADIOLA1FDS0.78
ESTESTRADIOLA,B,C1G500.78
ESTESTRADIOLA,B,C,D,E,F1ERE0.78
ESTESTRADIOLA,B1A520.78
ESTESTRADIOLA1FDT0.78
ESTESTRADIOLA2OCF0.78
ESTESTRADIOLA,B,C1QKU0.78
ESTESTRADIOLA,B,C,D,L1E6W0.78
ESTESTRADIOLA1IOL0.78
ESTESTRADIOLH1JNN0.78
ESTESTRADIOLB1QKT0.78
ESTESTRADIOLA1FDW0.78
ESTESTRADIOLA,B1AQU0.78
ESTESTRADIOLA1LHU0.78
ESTESTRADIOLA1A270.78
ESTESTRADIOLL1JGL0.78
ESTESTRADIOLA,B,E,F1PCG0.78
ESTESTRADIOLA,B,C,D1FDU0.78
ESTESTRADIOLA2J7X0.78
ESTESTRADIOLA,B2D060.78
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.72
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDM,N,O,P,Q,R3PCN0.73
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDB1AI40.73
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B,C,D1Q0C0.73
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B1F1V0.73
MCT4-METHYLCATECHOLA1L4G0.81
MCT4-METHYLCATECHOLA2EHZ0.81
MCT4-METHYLCATECHOLA,B1DMH0.81
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.77
TCT6-(4-CHLORO-2-HYDROXY-PHENOXY)-
NAPHTHALEN-2-OL
A,B1NNU0.78
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.85
TBT8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-
8,9,10-TRIOL
A1DJD0.78
OBPA,B2DE30.74
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1DL40.78
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1I7V0.78
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1QBY0.78
BPYBIPHENYL-2,3-DIOLA1KMY0.89
BPYBIPHENYL-2,3-DIOLB1KW80.89
BPYBIPHENYL-2,3-DIOLA2EI30.89
BPYBIPHENYL-2,3-DIOLA1EIR0.89
BPYBIPHENYL-2,3-DIOLB1KW60.89
BPYBIPHENYL-2,3-DIOLB1KWC0.89
BPYBIPHENYL-2,3-DIOLB1KW90.89
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.81
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
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A2ROU0.78
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HX40.78
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.78
EYK2-tert-butylbenzene-1,4-diolB3EYK0.78
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,D1Y0G0.73
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A,P,T2I9G0.78
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HWV0.78
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.81
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.81
ECS2,3,17BETA-TRIHYDROXY-1,3,5(10)-
ESTRATRIENE
A,B,C,D2BW70.81
BZR1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1MXJ0.78
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.85
LDPL-DOPAMINEA,B2A3R0.75
LDPL-DOPAMINEA5PAH0.75
LDPL-DOPAMINEA,B2QMZ0.75
LDPL-DOPAMINEA,B2VQ50.75
CAQCATECHOLB2BUY0.71
CAQCATECHOLA1KND0.71
CAQCATECHOLB2BUQ0.71
CAQCATECHOLA,B1DLT0.71
CAQCATECHOLA1XEP0.71
CAQCATECHOLA2PUM0.71
D1NNAPHTHALENE-1,2-DIOLA2EI10.94
ESLESTRIOLA1X8V0.79
EZT(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-
1(10),2,4-TRIENE-3,17-DIOL
A,B2P150.77
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.76
ANFANTHRONEH2BJM0.92
1NP1-NAPHTHOLX2ZVQ0.88
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXV0.77
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,E2IBK0.77
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,C,D,E,F2IA60.77
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1Y9H0.77
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1FYY0.77
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXO0.77
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1DXA0.77
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXL0.77
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,D,E,F1S0M0.77
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1BPS0.77
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,C1XC90.77
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.79
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.7
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.7
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.86
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.79
JPA4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL-
3-OL
A,B2FOI0.72
STLRESVERATROLA,B3CKL0.76
STLRESVERATROLA,B,C,D1U0W0.76
STLRESVERATROLA1CGZ0.76
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.76
STLRESVERATROLA1Z1F0.76
STLRESVERATROLA1DVS0.76
STLRESVERATROLA,B1SG00.76
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.71
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.71
5TN(2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL-
3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1V0.72
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.82
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.88
2MP3,4-DIMETHYLPHENOLA1L5O0.79
3695-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-
7-methylnaphthalen-2-ol
A,B3DT30.79
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.82
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.8
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.74
HC4A1TS60.71
HC4A3PHY0.71
HC4A3PYP0.71
HC4A1T1C0.71
HC4A1OT60.71
HC4A1TS00.71
HC4A1T1A0.71
HC4A2PYP0.71
HC4A2ZOI0.71
HC4A1OTI0.71
HC4A1XFQ0.71
HC4A2D010.71
HC4A,B,C,D,E,F,
G,H
2O7B0.71
HC4A2ZOH0.71
HC4A1GSW0.71
HC4A2QJ70.71
HC4A1F9I0.71
HC4X1UWP0.71
HC4A2PHY0.71
HC4A1T1B0.71
HC4A1F980.71
HC4A1T190.71
HC4X1UWN0.71
HC4A,B,C,D,E,F,
G,H
2O7F0.71
HC4A1UGU0.71
HC4A1TS80.71
HC4A,B1OTD0.71
HC4A1OTE0.71
HC4A1GSX0.71
HC4A1TS70.71
HC4A2PYR0.71
HC4A1S4S0.71
HC4A1GSV0.71
HC4A2I9V0.71
HC4A2QWS0.71
HC4A1XFN0.71
HC4A1S4R0.71
HC4A1T180.71
HC4A1OTA0.71
HC4A1D7E0.71
HC4A1S1Z0.71
HC4A,B,C1MZU0.71
HC4A,B1ODV0.71
HC4A,B2J3J0.71
HC4A2QJ50.71
HC4A1OTB0.71
HC4A2D020.71
HC4A1OT90.71
HC4A1NWZ0.71
HC4A1S1Y0.71
MBD3-METHYLCATECHOLA1KNF0.82
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.83
TTO(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-
ARSONIUM
A1HYZ0.77
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.77
LJ33,5-dibromobiphenyl-4-olA,B3CN20.73
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.79
DESDIETHYLSTILBESTROLA,B3ERD0.79
DESDIETHYLSTILBESTROLA,B1TT60.79
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.79
JPN2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOLA,B2OL40.7
EGT2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-
3,5,7-TRIOL
A1JNQ0.72
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.77
NOANAPHTHYLOXYACETIC ACIDA,B,I1HIV0.72
NOANAPHTHYLOXYACETIC ACIDI1IVP0.72
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.7
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.7
EQUEQUILENINA,B1OGX0.8
EQUEQUILENINA,B,C,D,E,F1QJG0.8
EQUEQUILENINA,B1OH00.8
EQUEQUILENINA1W6Y0.8
EQUEQUILENINA,B1CQS0.8
EQUEQUILENINA1OGZ0.8
EQUEQUILENINA1GS30.8
EQUEQUILENINA1OHO0.8
HE74-{[(14beta,17alpha)-3-hydroxyestra-
1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid
A,B,C,D2Z770.71
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.71
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.71
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.76
DHCCAFFEIC ACIDA1KOU0.76
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA,B2OOS0.7
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA3FNH0.7
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.8
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.8
55E4-(4-hydroxy-3-methylphenyl)-6-
phenylpyrimidin-2(5H)-one
A3DCV0.7
JPM5-benzyl-2-(2,4-dichlorophenoxy)phenolA,B,C,D3FNF0.71
KOM7,8-dihydroxy-4-phenyl-2H-chromen-
2-one
A2ZVJ0.7
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.71
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.81
ETY4-ethylphenolA,B,C,D2RA60.75
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.82
TBC(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENEA1N8C0.72
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.71
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.84
PCRP-CRESOLA1JHV0.73
PCRP-CRESOLA1JHU0.73
PCRP-CRESOLA,B,C,D1DIQ0.73
LNRL-NOREPINEPHRINEA,B2QEO0.7
LNRL-NOREPINEPHRINEA3DYE0.7
LNRL-NOREPINEPHRINEA4PAH0.7
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.82
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.82
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.71
2LP2-ALLYLPHENOLA1OV50.77
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FF50.71
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FET0.71
EPTHEPTANYL-P-PHENOLA,B1AHZ0.76
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.73
ESM1,3,5(10)-ESTRATRIEN-2,3,17-BETA-
TRIOL 2-METHYL ETHER
A1LHW0.75
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.77
LZ25-hydroxynaphthalene-1-sulfonamideA2VTH0.77