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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03545684

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,D3E5U0.77
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B3E6B0.77
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5X0.77
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B2H6B0.77
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDC3E6C0.77
2MP3,4-DIMETHYLPHENOLA1L5O0.72
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.73
EPTHEPTANYL-P-PHENOLA,B1AHZ0.74
TC72,4,5-trichlorophenolA2VCE0.76
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.75
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.72
JPN2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOLA,B2OL40.71
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.74
PCRP-CRESOLA1JHV0.71
PCRP-CRESOLA1JHU0.71
PCRP-CRESOLA,B,C,D1DIQ0.71
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,D1Y0G0.72
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA,B2OOS0.71
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA3FNH0.71
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.76
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.93
2LP2-ALLYLPHENOLA1OV50.76
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.76
JPL5-(cyclohexa-1,5-dien-1-ylmethyl)-
2-(2,4-dichlorophenoxy)phenol
A3FNG0.71
ANFANTHRONEH2BJM0.73
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
3CAA,B2B770.73
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
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.74
DESDIETHYLSTILBESTROLA,B3ERD0.74
DESDIETHYLSTILBESTROLA,B1TT60.74
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.74
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.72
EYK2-tert-butylbenzene-1,4-diolB3EYK0.72
C2U3,5-dichloro-2-hydroxybenzoic acidA3C3U0.7
C2U3,5-dichloro-2-hydroxybenzoic acidA3CV70.7
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.73
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
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.75
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.75
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.75
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.76
2CH2-CHLOROPHENOLA1WBO0.76
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.82
1NP1-NAPHTHOLX2ZVQ0.75
3CH3-CHLOROPHENOLA1LI30.74
OBPA,B2DE30.71
JPM5-benzyl-2-(2,4-dichlorophenoxy)phenolA,B,C,D3FNF0.71
ETY4-ethylphenolA,B,C,D2RA60.73
JPA4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL-
3-OL
A,B2FOI0.71
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.75
43M4-CHLORO-3-METHYLPHENOLA2P7A0.76
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.88
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.88
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.79
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.93
D1NNAPHTHALENE-1,2-DIOLA2EI10.7
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.82
LJ33,5-dibromobiphenyl-4-olA,B3CN20.7