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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02630342

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5U0.72
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B3E6B0.72
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5X0.72
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B2H6B0.72
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDC3E6C0.72
ETY4-ethylphenolA,B,C,D2RA60.81
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.74
PCRP-CRESOLA1JHV0.79
PCRP-CRESOLA1JHU0.79
PCRP-CRESOLA,B,C,D1DIQ0.79
SDT3,4-dihydroxy-9,10-secoandrosta-
1(10),2,4-triene-9,17-dione
A,B2ZI80.73
EQUEQUILENINA,B1OGX0.74
EQUEQUILENINA,B,C,D,E,F1QJG0.74
EQUEQUILENINA,B1OH00.74
EQUEQUILENINA1W6Y0.74
EQUEQUILENINA,B1CQS0.74
EQUEQUILENINA1OGZ0.74
EQUEQUILENINA1GS30.74
EQUEQUILENINA1OHO0.74
4594-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-
8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2FAI0.75
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.74
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.84
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
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.86
DESDIETHYLSTILBESTROLA,B3ERD0.86
DESDIETHYLSTILBESTROLA,B1TT60.86
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.86
EQIEQUILINA,B1EQU0.74
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL
A,B2QGT0.74
MCT4-METHYLCATECHOLA1L4G0.76
MCT4-METHYLCATECHOLA2EHZ0.76
MCT4-METHYLCATECHOLA,B1DMH0.76
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.72
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.72
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.84
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.7
DHCCAFFEIC ACIDA1KOU0.7
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.79
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.72
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.74
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.74
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.75
3CAA,B2B770.75
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.9
AC6P-HYDROXYACETOPHENONEA2GQ80.7
AC6P-HYDROXYACETOPHENONEX2O480.7
LZ25-hydroxynaphthalene-1-sulfonamideA2VTH0.71
2LP2-ALLYLPHENOLA1OV50.81
D1NNAPHTHALENE-1,2-DIOLA2EI10.79
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.78
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.71
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.75
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.74
4HP4-HYDROXYPHENYLACETATEA2YYJ0.74
4HP4-HYDROXYPHENYLACETATEA2YYM0.74
4HP4-HYDROXYPHENYLACETATEB1AI60.74
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.74
G24[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-
DIMETHYLPHENOXY]ACETIC ACID
A1Q4X0.7
HC4A1TS60.74
HC4A3PHY0.74
HC4A3PYP0.74
HC4A1T1C0.74
HC4A1OT60.74
HC4A1TS00.74
HC4A1T1A0.74
HC4A2PYP0.74
HC4A2ZOI0.74
HC4A1OTI0.74
HC4A1XFQ0.74
HC4A2D010.74
HC4A,B,C,D,E,F,
G,H
2O7B0.74
HC4A2ZOH0.74
HC4A1GSW0.74
HC4A2QJ70.74
HC4A1F9I0.74
HC4X1UWP0.74
HC4A2PHY0.74
HC4A1T1B0.74
HC4A1F980.74
HC4A1T190.74
HC4X1UWN0.74
HC4A,B,C,D,E,F,
G,H
2O7F0.74
HC4A1UGU0.74
HC4A1TS80.74
HC4A,B1OTD0.74
HC4A1OTE0.74
HC4A1GSX0.74
HC4A1TS70.74
HC4A2PYR0.74
HC4A1S4S0.74
HC4A1GSV0.74
HC4A2I9V0.74
HC4A2QWS0.74
HC4A1XFN0.74
HC4A1S4R0.74
HC4A1T180.74
HC4A1OTA0.74
HC4A1D7E0.74
HC4A1S1Z0.74
HC4A,B,C1MZU0.74
HC4A,B1ODV0.74
HC4A,B2J3J0.74
HC4A2QJ50.74
HC4A1OTB0.74
HC4A2D020.74
HC4A1OT90.74
HC4A1NWZ0.74
HC4A1S1Y0.74
AEF4-(2-aminoethyl)phenolA3BRA0.71
43M4-CHLORO-3-METHYLPHENOLA2P7A0.77
MBD3-METHYLCATECHOLA1KNF0.77
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID
A1NAV0.71
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID
A1NAX0.71
1NP1-NAPHTHOLX2ZVQ0.81
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.74
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.84
JJ3(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
6-(METHOXYMETHYL)-1,2,3,3A,4,9B-
HEXAHYDROCYCLOPENTA[C]CHROMEN-8-
OL
A,B2JJ30.7
JJ3(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
6-(METHOXYMETHYL)-1,2,3,3A,4,9B-
HEXAHYDROCYCLOPENTA[C]CHROMEN-8-
OL
A,B2QE40.7
I0G(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL
A,B2I0G0.7
I0G(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL
A,B,C,D2I0J0.7
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.85
JPA4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL-
3-OL
A,B2FOI0.72
LJ33,5-dibromobiphenyl-4-olA,B3CN20.76
OBPA,B2DE30.77
CRSM-CRESOLA,B,C,D1EV30.78
CRSM-CRESOLA,B,C,D,E,F2OMG0.78
CRSM-CRESOLA,B1UZ90.78
CRSM-CRESOLA,B,C,D1ZEH0.78
CRSM-CRESOLA,B,C,D,E,F1ZEI0.78
CRSM-CRESOLA,C,D,E7INS0.78
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.78
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.72
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.75
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.81
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.8
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.72
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.72
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.72
EPTHEPTANYL-P-PHENOLA,B1AHZ0.82
55E4-(4-hydroxy-3-methylphenyl)-6-
phenylpyrimidin-2(5H)-one
A3DCV0.75
ESLESTRIOLA1X8V0.75
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol
A2ZFX0.72
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.7
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.8
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.82
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.83
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.83
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.85
ECS2,3,17BETA-TRIHYDROXY-1,3,5(10)-
ESTRATRIENE
A,B,C,D2BW70.73
2NAnaphthalen-2-ylmethanolA,B,C3EE50.71
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDH,I1A2C0.71
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C1CA70.71
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C,D3GGO0.71
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.78
ANFANTHRONEH2BJM0.79
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.71
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.71
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.78
2MP3,4-DIMETHYLPHENOLA1L5O0.81
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.75
3695-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-
7-methylnaphthalen-2-ol
A,B3DT30.71
JPN2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOLA,B2OL40.7
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.82
EYK2-tert-butylbenzene-1,4-diolB3EYK0.82
6894-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B1ZKY0.73
3CH3-CHLOROPHENOLA1LI30.7
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA,B2OOS0.7
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA3FNH0.7
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.84
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.83
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.72
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
A,B2G440.75
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.74
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.74
3TN(2E)-3-[4-HYDROXY-3-(3-METHOXY-
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1T0.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.86
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.86
JPM5-benzyl-2-(2,4-dichlorophenoxy)phenolA,B,C,D3FNF0.71
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,D1Y0G0.8
JPL5-(cyclohexa-1,5-dien-1-ylmethyl)-
2-(2,4-dichlorophenoxy)phenol
A3FNG0.7
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.78
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.74
EZT(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-
1(10),2,4-TRIENE-3,17-DIOL
A,B2P150.76
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.86
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
LJ22,6-dibromo-4-[(E)-2-phenylethenyl]phenolA,B3CN10.71
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.78
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.8
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.79
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.76
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.74
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.83
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.72
STLRESVERATROLA,B3CKL0.78
STLRESVERATROLA,B,C,D1U0W0.78
STLRESVERATROLA1CGZ0.78
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.78
STLRESVERATROLA1Z1F0.78
STLRESVERATROLA1DVS0.78
STLRESVERATROLA,B1SG00.78
4584-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
8-METHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2B1V0.72
BPYBIPHENYL-2,3-DIOLA1KMY0.83
BPYBIPHENYL-2,3-DIOLB1KW80.83
BPYBIPHENYL-2,3-DIOLA2EI30.83
BPYBIPHENYL-2,3-DIOLA1EIR0.83
BPYBIPHENYL-2,3-DIOLB1KW60.83
BPYBIPHENYL-2,3-DIOLB1KWC0.83
BPYBIPHENYL-2,3-DIOLB1KW90.83
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
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.72
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.74