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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02828260

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
JPA4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL-
3-OL
A,B2FOI0.75
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
2MP3,4-DIMETHYLPHENOLA1L5O0.77
EPTHEPTANYL-P-PHENOLA,B1AHZ0.74
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.7
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.75
JPM5-benzyl-2-(2,4-dichlorophenoxy)phenolA,B,C,D3FNF0.73
TC72,4,5-trichlorophenolA2VCE0.71
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.84
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.74
EYK2-tert-butylbenzene-1,4-diolB3EYK0.74
PCRP-CRESOLA1JHV0.71
PCRP-CRESOLA1JHU0.71
PCRP-CRESOLA,B,C,D1DIQ0.71
SC41[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]-
4-[2,6-DICHLORO-PHENYL-OXYMETHYL]-
BENZENE
1,41EAH0.72
SC41[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]-
4-[2,6-DICHLORO-PHENYL-OXYMETHYL]-
BENZENE
1,43EPF0.72
ANFANTHRONEH2BJM0.77
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.75
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.78
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.77
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.7
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.71
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.74
BPYBIPHENYL-2,3-DIOLA1KMY0.75
BPYBIPHENYL-2,3-DIOLB1KW80.75
BPYBIPHENYL-2,3-DIOLA2EI30.75
BPYBIPHENYL-2,3-DIOLA1EIR0.75
BPYBIPHENYL-2,3-DIOLB1KW60.75
BPYBIPHENYL-2,3-DIOLB1KWC0.75
BPYBIPHENYL-2,3-DIOLB1KW90.75
2CH2-CHLOROPHENOLA1WBO0.75
3CAA,B2B770.73
MBD3-METHYLCATECHOLA1KNF0.7
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.75
DESDIETHYLSTILBESTROLA,B3ERD0.75
DESDIETHYLSTILBESTROLA,B1TT60.75
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.75
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.74
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.74
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.74
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.84
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.85
STLRESVERATROLA,B3CKL0.71
STLRESVERATROLA,B,C,D1U0W0.71
STLRESVERATROLA1CGZ0.71
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.71
STLRESVERATROLA1Z1F0.71
STLRESVERATROLA1DVS0.71
STLRESVERATROLA,B1SG00.71
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.86
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.86
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,D1Y0G0.71
2LP2-ALLYLPHENOLA1OV50.73
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.75
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.86
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.75
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.72
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.77
TCT6-(4-CHLORO-2-HYDROXY-PHENOXY)-
NAPHTHALEN-2-OL
A,B1NNU0.71
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.73
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
43M4-CHLORO-3-METHYLPHENOLA2P7A0.81
ETY4-ethylphenolA,B,C,D2RA60.73
1NP1-NAPHTHOLX2ZVQ0.77
D1NNAPHTHALENE-1,2-DIOLA2EI10.72
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.71
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
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.87
JPN2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOLA,B2OL40.73
JPL5-(cyclohexa-1,5-dien-1-ylmethyl)-
2-(2,4-dichlorophenoxy)phenol
A3FNG0.72
3CH3-CHLOROPHENOLA1LI30.73
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA,B2OOS0.73
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA3FNH0.73
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.77
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.77
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.77