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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02325282

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.73
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,D1Y0G0.78
2LP2-ALLYLPHENOLA1OV50.8
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.81
TCT6-(4-CHLORO-2-HYDROXY-PHENOXY)-
NAPHTHALEN-2-OL
A,B1NNU0.72
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.73
OBPA,B2DE30.75
MBD3-METHYLCATECHOLA1KNF0.73
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.77
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.8
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.8
JPA4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL-
3-OL
A,B2FOI0.73
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.77
1NP1-NAPHTHOLX2ZVQ0.8
HC4A1TS60.7
HC4A3PHY0.7
HC4A3PYP0.7
HC4A1T1C0.7
HC4A1OT60.7
HC4A1TS00.7
HC4A1T1A0.7
HC4A2PYP0.7
HC4A2ZOI0.7
HC4A1OTI0.7
HC4A1XFQ0.7
HC4A2D010.7
HC4A,B,C,D,E,F,
G,H
2O7B0.7
HC4A2ZOH0.7
HC4A1GSW0.7
HC4A2QJ70.7
HC4A1F9I0.7
HC4X1UWP0.7
HC4A2PHY0.7
HC4A1T1B0.7
HC4A1F980.7
HC4A1T190.7
HC4X1UWN0.7
HC4A,B,C,D,E,F,
G,H
2O7F0.7
HC4A1UGU0.7
HC4A1TS80.7
HC4A,B1OTD0.7
HC4A1OTE0.7
HC4A1GSX0.7
HC4A1TS70.7
HC4A2PYR0.7
HC4A1S4S0.7
HC4A1GSV0.7
HC4A2I9V0.7
HC4A2QWS0.7
HC4A1XFN0.7
HC4A1S4R0.7
HC4A1T180.7
HC4A1OTA0.7
HC4A1D7E0.7
HC4A1S1Z0.7
HC4A,B,C1MZU0.7
HC4A,B1ODV0.7
HC4A,B2J3J0.7
HC4A2QJ50.7
HC4A1OTB0.7
HC4A2D020.7
HC4A1OT90.7
HC4A1NWZ0.7
HC4A1S1Y0.7
2NAnaphthalen-2-ylmethanolA,B,C3EE50.72
ESTESTRADIOLA,B1GWR0.7
ESTESTRADIOLA1FDS0.7
ESTESTRADIOLA,B,C1G500.7
ESTESTRADIOLA,B,C,D,E,F1ERE0.7
ESTESTRADIOLA,B1A520.7
ESTESTRADIOLA1FDT0.7
ESTESTRADIOLA2OCF0.7
ESTESTRADIOLA,B,C1QKU0.7
ESTESTRADIOLA,B,C,D,L1E6W0.7
ESTESTRADIOLA1IOL0.7
ESTESTRADIOLH1JNN0.7
ESTESTRADIOLB1QKT0.7
ESTESTRADIOLA1FDW0.7
ESTESTRADIOLA,B1AQU0.7
ESTESTRADIOLA1LHU0.7
ESTESTRADIOLA1A270.7
ESTESTRADIOLL1JGL0.7
ESTESTRADIOLA,B,E,F1PCG0.7
ESTESTRADIOLA,B,C,D1FDU0.7
ESTESTRADIOLA2J7X0.7
ESTESTRADIOLA,B2D060.7
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.82
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
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.74
MCT4-METHYLCATECHOLA1L4G0.71
MCT4-METHYLCATECHOLA2EHZ0.71
MCT4-METHYLCATECHOLA,B1DMH0.71
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.71
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.71
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.73
3CH3-CHLOROPHENOLA1LI30.76
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.8
JPM5-benzyl-2-(2,4-dichlorophenoxy)phenolA,B,C,D3FNF0.7
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.85
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.78
EYK2-tert-butylbenzene-1,4-diolB3EYK0.78
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.75
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.75
2CH2-CHLOROPHENOLA1WBO0.75
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.81
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.81
12M(2-ETHYLPHENYL)METHANOLA,B2F620.71
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.77
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.76
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.86
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.7
3CAA,B2B770.74
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.7
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.71
2MP3,4-DIMETHYLPHENOLA1L5O0.79
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
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.75
D1NNAPHTHALENE-1,2-DIOLA2EI10.75
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.7
STLRESVERATROLA,B3CKL0.73
STLRESVERATROLA,B,C,D1U0W0.73
STLRESVERATROLA1CGZ0.73
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.73
STLRESVERATROLA1Z1F0.73
STLRESVERATROLA1DVS0.73
STLRESVERATROLA,B1SG00.73
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.83
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.82
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
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.71
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.71
43M4-CHLORO-3-METHYLPHENOLA2P7A0.83
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5U0.76
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B3E6B0.76
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5X0.76
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B2H6B0.76
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDC3E6C0.76
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.72
LJ33,5-dibromobiphenyl-4-olA,B3CN20.72
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.8
DESDIETHYLSTILBESTROLA,B3ERD0.8
DESDIETHYLSTILBESTROLA,B1TT60.8
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.8
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.82
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.73
EPTHEPTANYL-P-PHENOLA,B1AHZ0.79
ANFANTHRONEH2BJM0.8
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.74
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.71
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.72
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.82
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.81