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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03524670

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HE74-{[(14beta,17alpha)-3-hydroxyestra-
1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid
A,B,C,D2Z770.72
OAL(1,8-DIHYDROXY-9,10-DIOXO-9,10-
DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID
B1N5T0.73
G24[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-
DIMETHYLPHENOXY]ACETIC ACID
A1Q4X0.73
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.71
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.71
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.86
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
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.73
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.7
2NAnaphthalen-2-ylmethanolA,B,C3EE50.78
EQIEQUILINA,B1EQU0.74
ADL(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-
ANTHRACEN-2-YL)-ACETIC ACID
A,B1N5S0.74
4TN(2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)-4-HYDROXYPHENYL]ACRYLIC ACID
A2P1U0.74
MBD3-METHYLCATECHOLA1KNF0.74
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.82
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.83
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.73
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.85
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,D1Y0G0.77
TBT8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-
8,9,10-TRIOL
A1DJD0.78
TBC(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENEA1N8C0.8
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
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
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
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
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.72
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
4594-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-
8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2FAI0.7
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.81
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.76
ANFANTHRONEH2BJM0.92
1NP1-NAPHTHOLX2ZVQ0.88
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL
A,B2QGT0.77
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.82
EPTHEPTANYL-P-PHENOLA,B1AHZ0.78
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
A,B2G440.71
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.73
OBPA,B2DE30.72
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
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
ECS2,3,17BETA-TRIHYDROXY-1,3,5(10)-
ESTRATRIENE
A,B,C,D2BW70.75
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.71
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.82
LZ25-hydroxynaphthalene-1-sulfonamideA2VTH0.75
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.71
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.71
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A1ILH0.7
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A,B1NRL0.7
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.86
D1NNAPHTHALENE-1,2-DIOLA2EI10.84
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.74
ETY4-ethylphenolA,B,C,D2RA60.77
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.83
C3D(5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-
1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-OL
A2OUZ0.7
TTO(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-
ARSONIUM
A1HYZ0.72
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.82
LJ33,5-dibromobiphenyl-4-olA,B3CN20.73
2MP3,4-DIMETHYLPHENOLA1L5O0.81
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.79
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.82
TCT6-(4-CHLORO-2-HYDROXY-PHENOXY)-
NAPHTHALEN-2-OL
A,B1NNU0.71
BPYBIPHENYL-2,3-DIOLA1KMY0.79
BPYBIPHENYL-2,3-DIOLB1KW80.79
BPYBIPHENYL-2,3-DIOLA2EI30.79
BPYBIPHENYL-2,3-DIOLA1EIR0.79
BPYBIPHENYL-2,3-DIOLB1KW60.79
BPYBIPHENYL-2,3-DIOLB1KWC0.79
BPYBIPHENYL-2,3-DIOLB1KW90.79
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
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.78
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.8
DESDIETHYLSTILBESTROLA,B3ERD0.8
DESDIETHYLSTILBESTROLA,B1TT60.8
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.8
ESLESTRIOLA1X8V0.78
EZT(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-
1(10),2,4-TRIENE-3,17-DIOL
A,B2P150.81
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
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.78
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.82
3695-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-
7-methylnaphthalen-2-ol
A,B3DT30.83
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.76
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5A0.75
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5C0.75
MCT4-METHYLCATECHOLA1L4G0.73
MCT4-METHYLCATECHOLA2EHZ0.73
MCT4-METHYLCATECHOLA,B1DMH0.73
BPA7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENEA1JDG0.8
2LP2-ALLYLPHENOLA1OV50.77
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.73
EQUEQUILENINA,B1OGX0.81
EQUEQUILENINA,B,C,D,E,F1QJG0.81
EQUEQUILENINA,B1OH00.81
EQUEQUILENINA1W6Y0.81
EQUEQUILENINA,B1CQS0.81
EQUEQUILENINA1OGZ0.81
EQUEQUILENINA1GS30.81
EQUEQUILENINA1OHO0.81
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
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.76
PCRP-CRESOLA1JHV0.75
PCRP-CRESOLA1JHU0.75
PCRP-CRESOLA,B,C,D1DIQ0.75
55E4-(4-hydroxy-3-methylphenyl)-6-
phenylpyrimidin-2(5H)-one
A3DCV0.72
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.79