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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02813347

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.71
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.71
JPN2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOLA,B2OL40.79
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.72
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.73
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA,B2OOS0.79
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA3FNH0.79
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.72
2CH2-CHLOROPHENOLA1WBO0.72
3CH3-CHLOROPHENOLA1LI30.71
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.73
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.71
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
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.73
DESDIETHYLSTILBESTROLA,B3ERD0.73
DESDIETHYLSTILBESTROLA,B1TT60.73
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.73
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.84
TCT6-(4-CHLORO-2-HYDROXY-PHENOXY)-
NAPHTHALEN-2-OL
A,B1NNU0.74
DCNDICLOSANA,B,C,D2PD40.72
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.73
MBD3-METHYLCATECHOLA1KNF0.77
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.74
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
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.72
EYK2-tert-butylbenzene-1,4-diolB3EYK0.72
JPA4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL-
3-OL
A,B2FOI0.77
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.77
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.86
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.86
CRSM-CRESOLA,B,C,D1EV30.7
CRSM-CRESOLA,B,C,D,E,F2OMG0.7
CRSM-CRESOLA,B1UZ90.7
CRSM-CRESOLA,B,C,D1ZEH0.7
CRSM-CRESOLA,B,C,D,E,F1ZEI0.7
CRSM-CRESOLA,C,D,E7INS0.7
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.7
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.73
ANFANTHRONEH2BJM0.71
3CAA,B2B770.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.73
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.73
1NP1-NAPHTHOLX2ZVQ0.73
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.9
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.71
DHCCAFFEIC ACIDA1KOU0.71
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.73
TCLTRICLOSANA,B,C,D2PD30.73
TCLTRICLOSANA,B1P450.73
TCLTRICLOSANA,B,C,D,E,F2B350.73
TCLTRICLOSANA,B1D8A0.73
TCLTRICLOSANA,B1C140.73
TCLTRICLOSANA,B,C,D2QIO0.73
TCLTRICLOSANA,B1NHG0.73
TCLTRICLOSANA1D7O0.73
TCLTRICLOSANA,B,C,D2O2Y0.73
TCLTRICLOSANA,B1UH50.73
TCLTRICLOSANA,B2O2S0.73
TCLTRICLOSANA,B,C,D1QG60.73
TCLTRICLOSANA,B,C,D,E,F,
G,H
1QSG0.73
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.9
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.81
JPL5-(cyclohexa-1,5-dien-1-ylmethyl)-
2-(2,4-dichlorophenoxy)phenol
A3FNG0.78
43M4-CHLORO-3-METHYLPHENOLA2P7A0.76
JPM5-benzyl-2-(2,4-dichlorophenoxy)phenolA,B,C,D3FNF0.79
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.84
D1NNAPHTHALENE-1,2-DIOLA2EI10.78
2LP2-ALLYLPHENOLA1OV50.72
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
EPTHEPTANYL-P-PHENOLA,B1AHZ0.71
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.72
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.71
MCT4-METHYLCATECHOLA1L4G0.75
MCT4-METHYLCATECHOLA2EHZ0.75
MCT4-METHYLCATECHOLA,B1DMH0.75