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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02295404

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
C2U3,5-dichloro-2-hydroxybenzoic acidA3C3U0.74
C2U3,5-dichloro-2-hydroxybenzoic acidA3CV70.74
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.75
EYK2-tert-butylbenzene-1,4-diolB3EYK0.75
EPTHEPTANYL-P-PHENOLA,B1AHZ0.74
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.71
JPA4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL-
3-OL
A,B2FOI0.73
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.72
43M4-CHLORO-3-METHYLPHENOLA2P7A0.84
BPYBIPHENYL-2,3-DIOLA1KMY0.72
BPYBIPHENYL-2,3-DIOLB1KW80.72
BPYBIPHENYL-2,3-DIOLA2EI30.72
BPYBIPHENYL-2,3-DIOLA1EIR0.72
BPYBIPHENYL-2,3-DIOLB1KW60.72
BPYBIPHENYL-2,3-DIOLB1KWC0.72
BPYBIPHENYL-2,3-DIOLB1KW90.72
2MP3,4-DIMETHYLPHENOLA1L5O0.78
JPN2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOLA,B2OL40.71
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
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA,B2OOS0.71
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA3FNH0.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.71
2LP2-ALLYLPHENOLA1OV50.76
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.77
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.71
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.7
MBD3-METHYLCATECHOLA1KNF0.72
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.85
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.77
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
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.86
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.86
3CH3-CHLOROPHENOLA1LI30.72
ANFANTHRONEH2BJM0.71
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.75
PCRP-CRESOLA1JHV0.72
PCRP-CRESOLA1JHU0.72
PCRP-CRESOLA,B,C,D1DIQ0.72
3CAA,B2B770.71
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.76
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.86
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.71
DESDIETHYLSTILBESTROLA,B3ERD0.71
DESDIETHYLSTILBESTROLA,B1TT60.71
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.71
2CH2-CHLOROPHENOLA1WBO0.76
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.74
MCT4-METHYLCATECHOLA1L4G0.7
MCT4-METHYLCATECHOLA2EHZ0.7
MCT4-METHYLCATECHOLA,B1DMH0.7
1NP1-NAPHTHOLX2ZVQ0.75
JPM5-benzyl-2-(2,4-dichlorophenoxy)phenolA,B,C,D3FNF0.71
ETY4-ethylphenolA,B,C,D2RA60.74
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.79
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID
A1NAV0.7
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID
A1NAX0.7
JPL5-(cyclohexa-1,5-dien-1-ylmethyl)-
2-(2,4-dichlorophenoxy)phenol
A3FNG0.72
D1NNAPHTHALENE-1,2-DIOLA2EI10.7
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.82
TC72,4,5-trichlorophenolA2VCE0.74
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.72
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.81