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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02324829

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDM,N,O,P,Q,R3PCN0.74
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDB1AI40.74
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B,C,D1Q0C0.74
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B1F1V0.74
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
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.76
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
G24[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-
DIMETHYLPHENOXY]ACETIC ACID
A1Q4X0.73
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
NOANAPHTHYLOXYACETIC ACIDA,B,I1HIV0.71
NOANAPHTHYLOXYACETIC ACIDI1IVP0.71
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.78
ADL(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-
ANTHRACEN-2-YL)-ACETIC ACID
A,B1N5S0.75
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.78
DESDIETHYLSTILBESTROLA,B3ERD0.78
DESDIETHYLSTILBESTROLA,B1TT60.78
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.78
ESLESTRIOLA1X8V0.8
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.76
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.8
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.8
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.8
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.74
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
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.71
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.77
BPA7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENEA1JDG0.78
HE74-{[(14beta,17alpha)-3-hydroxyestra-
1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid
A,B,C,D2Z770.7
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.8
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.74
DHCCAFFEIC ACIDA1KOU0.74
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.7
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.76
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
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.89
KOM7,8-dihydroxy-4-phenyl-2H-chromen-
2-one
A2ZVJ0.71
LDPL-DOPAMINEA,B2A3R0.73
LDPL-DOPAMINEA5PAH0.73
LDPL-DOPAMINEA,B2QMZ0.73
LDPL-DOPAMINEA,B2VQ50.73
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
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXV0.78
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,E2IBK0.78
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,C,D,E,F2IA60.78
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1Y9H0.78
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1FYY0.78
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXO0.78
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1DXA0.78
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXL0.78
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,D,E,F1S0M0.78
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1BPS0.78
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,C1XC90.78
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL
A,B2QGT0.78
ECS2,3,17BETA-TRIHYDROXY-1,3,5(10)-
ESTRATRIENE
A,B,C,D2BW70.81
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FF50.72
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FET0.72
2NAnaphthalen-2-ylmethanolA,B,C3EE50.75
4TN(2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)-4-HYDROXYPHENYL]ACRYLIC ACID
A2P1U0.72
EQIEQUILINA,B1EQU0.72
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.76
MCT4-METHYLCATECHOLA1L4G0.8
MCT4-METHYLCATECHOLA2EHZ0.8
MCT4-METHYLCATECHOLA,B1DMH0.8
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.79
LNRL-NOREPINEPHRINEA,B2QEO0.71
LNRL-NOREPINEPHRINEA3DYE0.71
LNRL-NOREPINEPHRINEA4PAH0.71
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.77
EYK2-tert-butylbenzene-1,4-diolB3EYK0.77
JPA4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL-
3-OL
A,B2FOI0.72
OBPA,B2DE30.72
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
LJ33,5-dibromobiphenyl-4-olA,B3CN20.71
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.8
D1NNAPHTHALENE-1,2-DIOLA2EI10.92
LZ25-hydroxynaphthalene-1-sulfonamideA2VTH0.75
BPYBIPHENYL-2,3-DIOLA1KMY0.87
BPYBIPHENYL-2,3-DIOLB1KW80.87
BPYBIPHENYL-2,3-DIOLA2EI30.87
BPYBIPHENYL-2,3-DIOLA1EIR0.87
BPYBIPHENYL-2,3-DIOLB1KW60.87
BPYBIPHENYL-2,3-DIOLB1KWC0.87
BPYBIPHENYL-2,3-DIOLB1KW90.87
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.81
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.7
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.82
2MP3,4-DIMETHYLPHENOLA1L5O0.79
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.8
2LP2-ALLYLPHENOLA1OV50.75
TBT8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-
8,9,10-TRIOL
A1DJD0.79
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.8
3695-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-
7-methylnaphthalen-2-ol
A,B3DT30.81
1NP1-NAPHTHOLX2ZVQ0.85
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RH40.74
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B3CSD0.74
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHR0.74
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA1F0Q0.74
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3C130.74
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHC0.74
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3BQC0.74
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.73
TCT6-(4-CHLORO-2-HYDROXY-PHENOXY)-
NAPHTHALEN-2-OL
A,B1NNU0.76
MBD3-METHYLCATECHOLA1KNF0.81
55E4-(4-hydroxy-3-methylphenyl)-6-
phenylpyrimidin-2(5H)-one
A3DCV0.7
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.87
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.79
STLRESVERATROLA,B3CKL0.77
STLRESVERATROLA,B,C,D1U0W0.77
STLRESVERATROLA1CGZ0.77
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.77
STLRESVERATROLA1Z1F0.77
STLRESVERATROLA1DVS0.77
STLRESVERATROLA,B1SG00.77
EQUEQUILENINA,B1OGX0.79
EQUEQUILENINA,B,C,D,E,F1QJG0.79
EQUEQUILENINA,B1OH00.79
EQUEQUILENINA1W6Y0.79
EQUEQUILENINA,B1CQS0.79
EQUEQUILENINA1OGZ0.79
EQUEQUILENINA1GS30.79
EQUEQUILENINA1OHO0.79
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.71
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
A,B2G440.72
ANFANTHRONEH2BJM0.9
ETY4-ethylphenolA,B,C,D2RA60.75
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.78
TTO(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-
ARSONIUM
A1HYZ0.75
4594-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-
8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2FAI0.71
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.81
EZT(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-
1(10),2,4-TRIENE-3,17-DIOL
A,B2P150.76
EGT2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-
3,5,7-TRIOL
A1JNQ0.73
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
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.84
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.71
6894-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B1ZKY0.7
PCRP-CRESOLA1JHV0.73
PCRP-CRESOLA1JHU0.73
PCRP-CRESOLA,B,C,D1DIQ0.73
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.87
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.83
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
TBC(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENEA1N8C0.7
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5A0.74
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5C0.74
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
EPTHEPTANYL-P-PHENOLA,B1AHZ0.76
BZR1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1MXJ0.79
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
ESM1,3,5(10)-ESTRATRIEN-2,3,17-BETA-
TRIOL 2-METHYL ETHER
A1LHW0.75
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.8