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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02214976

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
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.73
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.84
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.84
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.7
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.7
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.7
JPA4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL-
3-OL
A,B2FOI0.73
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.75
MBD3-METHYLCATECHOLA1KNF0.74
2CH2-CHLOROPHENOLA1WBO0.77
2MP3,4-DIMETHYLPHENOLA1L5O0.78
3CAA,B2B770.72
JPM5-benzyl-2-(2,4-dichlorophenoxy)phenolA,B,C,D3FNF0.74
BPYBIPHENYL-2,3-DIOLA1KMY0.73
BPYBIPHENYL-2,3-DIOLB1KW80.73
BPYBIPHENYL-2,3-DIOLA2EI30.73
BPYBIPHENYL-2,3-DIOLA1EIR0.73
BPYBIPHENYL-2,3-DIOLB1KW60.73
BPYBIPHENYL-2,3-DIOLB1KWC0.73
BPYBIPHENYL-2,3-DIOLB1KW90.73
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,D1Y0G0.75
43M4-CHLORO-3-METHYLPHENOLA2P7A0.86
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.71
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.72
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.74
DESDIETHYLSTILBESTROLA,B3ERD0.74
DESDIETHYLSTILBESTROLA,B1TT60.74
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.74
EPTHEPTANYL-P-PHENOLA,B1AHZ0.78
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.77
EYK2-tert-butylbenzene-1,4-diolB3EYK0.77
CRSM-CRESOLA,B,C,D1EV30.78
CRSM-CRESOLA,B,C,D,E,F2OMG0.78
CRSM-CRESOLA,B1UZ90.78
CRSM-CRESOLA,B,C,D1ZEH0.78
CRSM-CRESOLA,B,C,D,E,F1ZEI0.78
CRSM-CRESOLA,C,D,E7INS0.78
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.78
JPL5-(cyclohexa-1,5-dien-1-ylmethyl)-
2-(2,4-dichlorophenoxy)phenol
A3FNG0.73
ANFANTHRONEH2BJM0.71
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.75
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.8
ETY4-ethylphenolA,B,C,D2RA60.77
1NP1-NAPHTHOLX2ZVQ0.73
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.71
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.75
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.74
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.79
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.74
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.74
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.8
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.7
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.7
3CH3-CHLOROPHENOLA1LI30.74
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.83
TC72,4,5-trichlorophenolA2VCE0.75
JPN2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOLA,B2OL40.73
MCT4-METHYLCATECHOLA1L4G0.73
MCT4-METHYLCATECHOLA2EHZ0.73
MCT4-METHYLCATECHOLA,B1DMH0.73
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.84
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.82
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.74
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.79
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.71
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA,B2OOS0.73
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA3FNH0.73
2LP2-ALLYLPHENOLA1OV50.77
STLRESVERATROLA,B3CKL0.7
STLRESVERATROLA,B,C,D1U0W0.7
STLRESVERATROLA1CGZ0.7
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.7
STLRESVERATROLA1Z1F0.7
STLRESVERATROLA1DVS0.7
STLRESVERATROLA,B1SG00.7
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.7
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.77
C2U3,5-dichloro-2-hydroxybenzoic acidA3C3U0.71
C2U3,5-dichloro-2-hydroxybenzoic acidA3CV70.71
PCRP-CRESOLA1JHV0.75
PCRP-CRESOLA1JHU0.75
PCRP-CRESOLA,B,C,D1DIQ0.75