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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02274170

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.86
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
TCT6-(4-CHLORO-2-HYDROXY-PHENOXY)-
NAPHTHALEN-2-OL
A,B1NNU0.72
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.7
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.7
EQIEQUILINA,B1EQU0.73
MBD3-METHYLCATECHOLA1KNF0.73
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.81
4TN(2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)-4-HYDROXYPHENYL]ACRYLIC ACID
A2P1U0.75
OAL(1,8-DIHYDROXY-9,10-DIOXO-9,10-
DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID
B1N5T0.75
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5A0.76
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5C0.76
OBPA,B2DE30.73
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.84
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.8
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.8
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.72
2NAnaphthalen-2-ylmethanolA,B,C3EE50.77
ANFANTHRONEH2BJM0.91
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.72
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.72
C3D(5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-
1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-OL
A2OUZ0.71
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
2MP3,4-DIMETHYLPHENOLA1L5O0.78
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.73
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.7
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.7
5TN(2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL-
3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1V0.74
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.84
LZ25-hydroxynaphthalene-1-sulfonamideA2VTH0.76
55E4-(4-hydroxy-3-methylphenyl)-6-
phenylpyrimidin-2(5H)-one
A3DCV0.71
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.76
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
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.85
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.85
TBC(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENEA1N8C0.79
3695-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-
7-methylnaphthalen-2-ol
A,B3DT30.84
2LP2-ALLYLPHENOLA1OV50.76
G24[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-
DIMETHYLPHENOXY]ACETIC ACID
A1Q4X0.72
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.79
1NP1-NAPHTHOLX2ZVQ0.87
HE74-{[(14beta,17alpha)-3-hydroxyestra-
1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid
A,B,C,D2Z770.73
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.7
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.79
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.72
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
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,D1Y0G0.74
3TN(2E)-3-[4-HYDROXY-3-(3-METHOXY-
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1T0.77
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.71
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.71
ESTESTRADIOLA,B1GWR0.79
ESTESTRADIOLA1FDS0.79
ESTESTRADIOLA,B,C1G500.79
ESTESTRADIOLA,B,C,D,E,F1ERE0.79
ESTESTRADIOLA,B1A520.79
ESTESTRADIOLA1FDT0.79
ESTESTRADIOLA2OCF0.79
ESTESTRADIOLA,B,C1QKU0.79
ESTESTRADIOLA,B,C,D,L1E6W0.79
ESTESTRADIOLA1IOL0.79
ESTESTRADIOLH1JNN0.79
ESTESTRADIOLB1QKT0.79
ESTESTRADIOLA1FDW0.79
ESTESTRADIOLA,B1AQU0.79
ESTESTRADIOLA1LHU0.79
ESTESTRADIOLA1A270.79
ESTESTRADIOLL1JGL0.79
ESTESTRADIOLA,B,E,F1PCG0.79
ESTESTRADIOLA,B,C,D1FDU0.79
ESTESTRADIOLA2J7X0.79
ESTESTRADIOLA,B2D060.79
ECS2,3,17BETA-TRIHYDROXY-1,3,5(10)-
ESTRATRIENE
A,B,C,D2BW70.75
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.87
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.7
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.71
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.8
MCT4-METHYLCATECHOLA1L4G0.72
MCT4-METHYLCATECHOLA2EHZ0.72
MCT4-METHYLCATECHOLA,B1DMH0.72
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.7
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.76
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.7
2DM2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATEA,B1S880.71
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.83
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.71
TBT8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-
8,9,10-TRIOL
A1DJD0.79
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.72
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.7
BPA7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENEA1JDG0.81
D1NNAPHTHALENE-1,2-DIOLA2EI10.85
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.73
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.79
DESDIETHYLSTILBESTROLA,B3ERD0.79
DESDIETHYLSTILBESTROLA,B1TT60.79
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.79
EQUEQUILENINA,B1OGX0.8
EQUEQUILENINA,B,C,D,E,F1QJG0.8
EQUEQUILENINA,B1OH00.8
EQUEQUILENINA1W6Y0.8
EQUEQUILENINA,B1CQS0.8
EQUEQUILENINA1OGZ0.8
EQUEQUILENINA1GS30.8
EQUEQUILENINA1OHO0.8
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
TTO(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-
ARSONIUM
A1HYZ0.73
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.85
LJ33,5-dibromobiphenyl-4-olA,B3CN20.72
EZT(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-
1(10),2,4-TRIENE-3,17-DIOL
A,B2P150.81
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.83
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXV0.81
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,E2IBK0.81
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,C,D,E,F2IA60.81
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1Y9H0.81
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1FYY0.81
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXO0.81
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1DXA0.81
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXL0.81
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,D,E,F1S0M0.81
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1BPS0.81
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,C1XC90.81
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
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL
A,B2QGT0.76
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.79
ADL(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-
ANTHRACEN-2-YL)-ACETIC ACID
A,B1N5S0.76
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.77
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.76
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
PCRP-CRESOLA1JHV0.73
PCRP-CRESOLA1JHU0.73
PCRP-CRESOLA,B,C,D1DIQ0.73
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.79
EYK2-tert-butylbenzene-1,4-diolB3EYK0.79
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.79
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
EPTHEPTANYL-P-PHENOLA,B1AHZ0.76
BZR1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1MXJ0.79
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.77
I0G(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL
A,B2I0G0.71
I0G(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL
A,B,C,D2I0J0.71
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
A,B2G440.7
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
ESLESTRIOLA1X8V0.77