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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02297540

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.8
G24[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-
DIMETHYLPHENOXY]ACETIC ACID
A1Q4X0.73
EQIEQUILINA,B1EQU0.73
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.71
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.71
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5A0.71
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5C0.71
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.74
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.7
ESTESTRADIOLA,B1GWR0.77
ESTESTRADIOLA1FDS0.77
ESTESTRADIOLA,B,C1G500.77
ESTESTRADIOLA,B,C,D,E,F1ERE0.77
ESTESTRADIOLA,B1A520.77
ESTESTRADIOLA1FDT0.77
ESTESTRADIOLA2OCF0.77
ESTESTRADIOLA,B,C1QKU0.77
ESTESTRADIOLA,B,C,D,L1E6W0.77
ESTESTRADIOLA1IOL0.77
ESTESTRADIOLH1JNN0.77
ESTESTRADIOLB1QKT0.77
ESTESTRADIOLA1FDW0.77
ESTESTRADIOLA,B1AQU0.77
ESTESTRADIOLA1LHU0.77
ESTESTRADIOLA1A270.77
ESTESTRADIOLL1JGL0.77
ESTESTRADIOLA,B,E,F1PCG0.77
ESTESTRADIOLA,B,C,D1FDU0.77
ESTESTRADIOLA2J7X0.77
ESTESTRADIOLA,B2D060.77
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.72
ANFANTHRONEH2BJM0.91
MBD3-METHYLCATECHOLA1KNF0.74
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL
A,B2QGT0.74
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.74
MCT4-METHYLCATECHOLA1L4G0.71
MCT4-METHYLCATECHOLA2EHZ0.71
MCT4-METHYLCATECHOLA,B1DMH0.71
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.82
3TN(2E)-3-[4-HYDROXY-3-(3-METHOXY-
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1T0.74
OBPA,B2DE30.74
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.82
TBC(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENEA1N8C0.8
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.73
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.72
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.78
EYK2-tert-butylbenzene-1,4-diolB3EYK0.78
D1NNAPHTHALENE-1,2-DIOLA2EI10.79
EQUEQUILENINA,B1OGX0.77
EQUEQUILENINA,B,C,D,E,F1QJG0.77
EQUEQUILENINA,B1OH00.77
EQUEQUILENINA1W6Y0.77
EQUEQUILENINA,B1CQS0.77
EQUEQUILENINA1OGZ0.77
EQUEQUILENINA1GS30.77
EQUEQUILENINA1OHO0.77
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.81
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.81
4594-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-
8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2FAI0.7
4TN(2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)-4-HYDROXYPHENYL]ACRYLIC ACID
A2P1U0.72
ADL(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-
ANTHRACEN-2-YL)-ACETIC ACID
A,B1N5S0.72
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.77
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.82
B28A,B2E9A0.72
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.7
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.7
2LP2-ALLYLPHENOLA1OV50.79
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.78
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.85
EPTHEPTANYL-P-PHENOLA,B1AHZ0.78
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.83
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
A,B2G440.71
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
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.75
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.81
LJ33,5-dibromobiphenyl-4-olA,B3CN20.74
1NP1-NAPHTHOLX2ZVQ0.84
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.81
DESDIETHYLSTILBESTROLA,B3ERD0.81
DESDIETHYLSTILBESTROLA,B1TT60.81
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.81
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.83
BPYBIPHENYL-2,3-DIOLA1KMY0.81
BPYBIPHENYL-2,3-DIOLB1KW80.81
BPYBIPHENYL-2,3-DIOLA2EI30.81
BPYBIPHENYL-2,3-DIOLA1EIR0.81
BPYBIPHENYL-2,3-DIOLB1KW60.81
BPYBIPHENYL-2,3-DIOLB1KWC0.81
BPYBIPHENYL-2,3-DIOLB1KW90.81
ESLESTRIOLA1X8V0.75
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.81
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.71
2MP3,4-DIMETHYLPHENOLA1L5O0.79
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.81
LZ25-hydroxynaphthalene-1-sulfonamideA2VTH0.73
3695-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-
7-methylnaphthalen-2-ol
A,B3DT30.79
ECS2,3,17BETA-TRIHYDROXY-1,3,5(10)-
ESTRATRIENE
A,B,C,D2BW70.73
2NAnaphthalen-2-ylmethanolA,B,C3EE50.76
TBT8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-
8,9,10-TRIOL
A1DJD0.79
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,D1Y0G0.79
B08A,B2E990.71
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.84
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A1ILH0.72
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A,B1NRL0.72
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.82
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.7
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.7
STLRESVERATROLA,B3CKL0.75
STLRESVERATROLA,B,C,D1U0W0.75
STLRESVERATROLA1CGZ0.75
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.75
STLRESVERATROLA1Z1F0.75
STLRESVERATROLA1DVS0.75
STLRESVERATROLA,B1SG00.75
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.72
55E4-(4-hydroxy-3-methylphenyl)-6-
phenylpyrimidin-2(5H)-one
A3DCV0.7
5TN(2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL-
3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1V0.71
PCRP-CRESOLA1JHV0.74
PCRP-CRESOLA1JHU0.74
PCRP-CRESOLA,B,C,D1DIQ0.74
ETY4-ethylphenolA,B,C,D2RA60.75
TTO(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-
ARSONIUM
A1HYZ0.75
OAL(1,8-DIHYDROXY-9,10-DIOXO-9,10-
DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID
B1N5T0.71
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1DL40.79
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1I7V0.79
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1QBY0.79
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.79
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.78
BPA7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENEA1JDG0.8
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.75
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.71
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A2ROU0.79
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HX40.79
BZR1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1MXJ0.79
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.83
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.83
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.79
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A,P,T2I9G0.79
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HWV0.79
CRSM-CRESOLA,B,C,D1EV30.76
CRSM-CRESOLA,B,C,D,E,F2OMG0.76
CRSM-CRESOLA,B1UZ90.76
CRSM-CRESOLA,B,C,D1ZEH0.76
CRSM-CRESOLA,B,C,D,E,F1ZEI0.76
CRSM-CRESOLA,C,D,E7INS0.76
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.76
EZT(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-
1(10),2,4-TRIENE-3,17-DIOL
A,B2P150.79
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.79