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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03269080

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL
A,B2QGT0.73
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.75
EQIEQUILINA,B1EQU0.73
MBD3-METHYLCATECHOLA1KNF0.73
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.75
BPYBIPHENYL-2,3-DIOLA1KMY0.78
BPYBIPHENYL-2,3-DIOLB1KW80.78
BPYBIPHENYL-2,3-DIOLA2EI30.78
BPYBIPHENYL-2,3-DIOLA1EIR0.78
BPYBIPHENYL-2,3-DIOLB1KW60.78
BPYBIPHENYL-2,3-DIOLB1KWC0.78
BPYBIPHENYL-2,3-DIOLB1KW90.78
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.78
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.78
EZT(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-
1(10),2,4-TRIENE-3,17-DIOL
A,B2P150.75
OBPA,B2DE30.73
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.7
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.77
4594-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-
8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2FAI0.74
2MP3,4-DIMETHYLPHENOLA1L5O0.78
PCRP-CRESOLA1JHV0.76
PCRP-CRESOLA1JHU0.76
PCRP-CRESOLA,B,C,D1DIQ0.76
CRSM-CRESOLA,B,C,D1EV30.75
CRSM-CRESOLA,B,C,D,E,F2OMG0.75
CRSM-CRESOLA,B1UZ90.75
CRSM-CRESOLA,B,C,D1ZEH0.75
CRSM-CRESOLA,B,C,D,E,F1ZEI0.75
CRSM-CRESOLA,C,D,E7INS0.75
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.75
3CAA,B2B770.77
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.71
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.71
EQUEQUILENINA,B1OGX0.73
EQUEQUILENINA,B,C,D,E,F1QJG0.73
EQUEQUILENINA,B1OH00.73
EQUEQUILENINA1W6Y0.73
EQUEQUILENINA,B1CQS0.73
EQUEQUILENINA1OGZ0.73
EQUEQUILENINA1GS30.73
EQUEQUILENINA1OHO0.73
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.7
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.7
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.73
2CH2-CHLOROPHENOLA1WBO0.73
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5U0.74
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B3E6B0.74
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5X0.74
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B2H6B0.74
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDC3E6C0.74
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.79
55E4-(4-hydroxy-3-methylphenyl)-6-
phenylpyrimidin-2(5H)-one
A3DCV0.71
4584-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
8-METHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2B1V0.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.87
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.87
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.78
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.87
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.81
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.82
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.86
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.77
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.7
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.84
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.79
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.85
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
A,B2G440.71
JPA4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL-
3-OL
A,B2FOI0.72
SDT3,4-dihydroxy-9,10-secoandrosta-
1(10),2,4-triene-9,17-dione
A,B2ZI80.72
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.71
3TN(2E)-3-[4-HYDROXY-3-(3-METHOXY-
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1T0.72
ANFANTHRONEH2BJM0.76
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA,B2OOS0.72
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA3FNH0.72
STLRESVERATROLA,B3CKL0.74
STLRESVERATROLA,B,C,D1U0W0.74
STLRESVERATROLA1CGZ0.74
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.74
STLRESVERATROLA1Z1F0.74
STLRESVERATROLA1DVS0.74
STLRESVERATROLA,B1SG00.74
JPN2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOLA,B2OL40.72
MCT4-METHYLCATECHOLA1L4G0.72
MCT4-METHYLCATECHOLA2EHZ0.72
MCT4-METHYLCATECHOLA,B1DMH0.72
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.71
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.83
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.83
ETY4-ethylphenolA,B,C,D2RA60.78
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.71
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.8
EYK2-tert-butylbenzene-1,4-diolB3EYK0.8
ESTESTRADIOLA,B1GWR0.76
ESTESTRADIOLA1FDS0.76
ESTESTRADIOLA,B,C1G500.76
ESTESTRADIOLA,B,C,D,E,F1ERE0.76
ESTESTRADIOLA,B1A520.76
ESTESTRADIOLA1FDT0.76
ESTESTRADIOLA2OCF0.76
ESTESTRADIOLA,B,C1QKU0.76
ESTESTRADIOLA,B,C,D,L1E6W0.76
ESTESTRADIOLA1IOL0.76
ESTESTRADIOLH1JNN0.76
ESTESTRADIOLB1QKT0.76
ESTESTRADIOLA1FDW0.76
ESTESTRADIOLA,B1AQU0.76
ESTESTRADIOLA1LHU0.76
ESTESTRADIOLA1A270.76
ESTESTRADIOLL1JGL0.76
ESTESTRADIOLA,B,E,F1PCG0.76
ESTESTRADIOLA,B,C,D1FDU0.76
ESTESTRADIOLA2J7X0.76
ESTESTRADIOLA,B2D060.76
D1NNAPHTHALENE-1,2-DIOLA2EI10.75
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.7
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.77
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
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.84
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.72
LJ33,5-dibromobiphenyl-4-olA,B3CN20.73
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.74
TCT6-(4-CHLORO-2-HYDROXY-PHENOXY)-
NAPHTHALEN-2-OL
A,B1NNU0.71
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.72
ESLESTRIOLA1X8V0.74
3CH3-CHLOROPHENOLA1LI30.74
JPM5-benzyl-2-(2,4-dichlorophenoxy)phenolA,B,C,D3FNF0.71
43M4-CHLORO-3-METHYLPHENOLA2P7A0.81
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.85
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.79
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.83
2LP2-ALLYLPHENOLA1OV50.78
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.8
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.81
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID
A1NAV0.72
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID
A1NAX0.72
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A1ILH0.75
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A,B1NRL0.75
6894-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B1ZKY0.72
JPL5-(cyclohexa-1,5-dien-1-ylmethyl)-
2-(2,4-dichlorophenoxy)phenol
A3FNG0.72
EPTHEPTANYL-P-PHENOLA,B1AHZ0.81
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.75
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.79
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.83
DESDIETHYLSTILBESTROLA,B3ERD0.83
DESDIETHYLSTILBESTROLA,B1TT60.83
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.83
ECS2,3,17BETA-TRIHYDROXY-1,3,5(10)-
ESTRATRIENE
A,B,C,D2BW70.72
1NP1-NAPHTHOLX2ZVQ0.78
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol
A2ZFX0.73