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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02319897

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2LP2-ALLYLPHENOLA1OV50.8
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.75
EYK2-tert-butylbenzene-1,4-diolB3EYK0.75
MBD3-METHYLCATECHOLA1KNF0.73
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.74
JPM5-benzyl-2-(2,4-dichlorophenoxy)phenolA,B,C,D3FNF0.73
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
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.7
PCRP-CRESOLA1JHV0.76
PCRP-CRESOLA1JHU0.76
PCRP-CRESOLA,B,C,D1DIQ0.76
SS11-PHENYLETHANOLH1UM50.7
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
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,D1Y0G0.77
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.71
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.71
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.7
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.7
3CH3-CHLOROPHENOLA1LI30.76
C2U3,5-dichloro-2-hydroxybenzoic acidA3C3U0.77
C2U3,5-dichloro-2-hydroxybenzoic acidA3CV70.77
34C(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACIDA,B1HT80.71
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.78
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.76
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.7
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.7
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.79
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.74
DESDIETHYLSTILBESTROLA,B3ERD0.74
DESDIETHYLSTILBESTROLA,B1TT60.74
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.74
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.85
JPA4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL-
3-OL
A,B2FOI0.72
2MP3,4-DIMETHYLPHENOLA1L5O0.75
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.73
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA,B2OOS0.72
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA3FNH0.72
JPN2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOLA,B2OL40.72
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.81
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.73
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.73
ETY4-ethylphenolA,B,C,D2RA60.78
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.74
SS2(1R)-1-PHENYLETHANOLA1ZK00.7
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.7
SS2(1R)-1-PHENYLETHANOLA1ZJY0.7
TC72,4,5-trichlorophenolA2VCE0.77
MCT4-METHYLCATECHOLA1L4G0.7
MCT4-METHYLCATECHOLA2EHZ0.7
MCT4-METHYLCATECHOLA,B1DMH0.7
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.74
43M4-CHLORO-3-METHYLPHENOLA2P7A0.83
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.72
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.73
PCIPENTACHLOROPHENOLA,B2GWH0.71
PCIPENTACHLOROPHENOLA,B,C1Y5N0.71
PCIPENTACHLOROPHENOLA,B,C1Y4Z0.71
PCIPENTACHLOROPHENOLA,B,C,E,F,G2VPY0.71
2CH2-CHLOROPHENOLA1WBO0.8
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.76
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.79
1NP1-NAPHTHOLX2ZVQ0.72
EPTHEPTANYL-P-PHENOLA,B1AHZ0.79
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.88
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.88
CHB3-CHLORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCH0.73
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.84
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
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5U0.8
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B3E6B0.8
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5X0.8
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B2H6B0.8
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDC3E6C0.8
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.71
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.82