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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03541007

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.75
EYK2-tert-butylbenzene-1,4-diolB3EYK0.75
TCT6-(4-CHLORO-2-HYDROXY-PHENOXY)-
NAPHTHALEN-2-OL
A,B1NNU0.77
D1NNAPHTHALENE-1,2-DIOLA2EI10.83
EPTHEPTANYL-P-PHENOLA,B1AHZ0.74
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
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.76
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.86
43M4-CHLORO-3-METHYLPHENOLA2P7A0.84
2MP3,4-DIMETHYLPHENOLA1L5O0.78
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.75
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.85
3CAA,B2B770.72
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
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.71
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.71
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.85
LZ25-hydroxynaphthalene-1-sulfonamideA2VTH0.76
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.76
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.76
2NAnaphthalen-2-ylmethanolA,B,C3EE50.73
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.71
EZT(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-
1(10),2,4-TRIENE-3,17-DIOL
A,B2P150.7
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.82
MBD3-METHYLCATECHOLA1KNF0.72
1NP1-NAPHTHOLX2ZVQ0.88
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.75
2CH2-CHLOROPHENOLA1WBO0.74
EQUEQUILENINA,B1OGX0.7
EQUEQUILENINA,B,C,D,E,F1QJG0.7
EQUEQUILENINA,B1OH00.7
EQUEQUILENINA1W6Y0.7
EQUEQUILENINA,B1CQS0.7
EQUEQUILENINA1OGZ0.7
EQUEQUILENINA1GS30.7
EQUEQUILENINA1OHO0.7
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5U0.75
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B3E6B0.75
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5X0.75
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B2H6B0.75
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDC3E6C0.75
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.74
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.77
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.74
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,D1Y0G0.74
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
PCRP-CRESOLA1JHV0.72
PCRP-CRESOLA1JHU0.72
PCRP-CRESOLA,B,C,D1DIQ0.72
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.76
DESDIETHYLSTILBESTROLA,B3ERD0.76
DESDIETHYLSTILBESTROLA,B1TT60.76
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.76
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.76
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.76
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.83
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.83
ESTESTRADIOLA,B1GWR0.71
ESTESTRADIOLA1FDS0.71
ESTESTRADIOLA,B,C1G500.71
ESTESTRADIOLA,B,C,D,E,F1ERE0.71
ESTESTRADIOLA,B1A520.71
ESTESTRADIOLA1FDT0.71
ESTESTRADIOLA2OCF0.71
ESTESTRADIOLA,B,C1QKU0.71
ESTESTRADIOLA,B,C,D,L1E6W0.71
ESTESTRADIOLA1IOL0.71
ESTESTRADIOLH1JNN0.71
ESTESTRADIOLB1QKT0.71
ESTESTRADIOLA1FDW0.71
ESTESTRADIOLA,B1AQU0.71
ESTESTRADIOLA1LHU0.71
ESTESTRADIOLA1A270.71
ESTESTRADIOLL1JGL0.71
ESTESTRADIOLA,B,E,F1PCG0.71
ESTESTRADIOLA,B,C,D1FDU0.71
ESTESTRADIOLA2J7X0.71
ESTESTRADIOLA,B2D060.71
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.81
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.74
MCT4-METHYLCATECHOLA1L4G0.7
MCT4-METHYLCATECHOLA2EHZ0.7
MCT4-METHYLCATECHOLA,B1DMH0.7
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.74
OBPA,B2DE30.71
JPA4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL-
3-OL
A,B2FOI0.71
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.71
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.87
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.72
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.76
ETY4-ethylphenolA,B,C,D2RA60.74
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.74
2LP2-ALLYLPHENOLA1OV50.77
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.71
3CH3-CHLOROPHENOLA1LI30.75
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.77
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.7
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.87
ANFANTHRONEH2BJM0.82
LJ33,5-dibromobiphenyl-4-olA,B3CN20.7