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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03537719

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.75
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.75
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
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.76
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.73
EYK2-tert-butylbenzene-1,4-diolB3EYK0.73
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.77
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.85
EPTHEPTANYL-P-PHENOLA,B1AHZ0.75
C2U3,5-dichloro-2-hydroxybenzoic acidA3C3U0.72
C2U3,5-dichloro-2-hydroxybenzoic acidA3CV70.72
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.73
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.85
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.76
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.76
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.91
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.91
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.71
3CAA,B2B770.73
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.75
DESDIETHYLSTILBESTROLA,B3ERD0.75
DESDIETHYLSTILBESTROLA,B1TT60.75
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.75
2MP3,4-DIMETHYLPHENOLA1L5O0.73
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.75
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
D1NNAPHTHALENE-1,2-DIOLA2EI10.71
1NP1-NAPHTHOLX2ZVQ0.76
JPA4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL-
3-OL
A,B2FOI0.72
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
OBPA,B2DE30.72
ANFANTHRONEH2BJM0.74
LJ33,5-dibromobiphenyl-4-olA,B3CN20.71
JPM5-benzyl-2-(2,4-dichlorophenoxy)phenolA,B,C,D3FNF0.72
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA,B2OOS0.72
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA3FNH0.72
CHB3-CHLORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCH0.72
JPN2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOLA,B2OL40.72
PCRP-CRESOLA1JHV0.72
PCRP-CRESOLA1JHU0.72
PCRP-CRESOLA,B,C,D1DIQ0.72
BPYBIPHENYL-2,3-DIOLA1KMY0.76
BPYBIPHENYL-2,3-DIOLB1KW80.76
BPYBIPHENYL-2,3-DIOLA2EI30.76
BPYBIPHENYL-2,3-DIOLA1EIR0.76
BPYBIPHENYL-2,3-DIOLB1KW60.76
BPYBIPHENYL-2,3-DIOLB1KWC0.76
BPYBIPHENYL-2,3-DIOLB1KW90.76
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.7
2CH2-CHLOROPHENOLA1WBO0.79
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.82
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.7
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.7
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.91
43M4-CHLORO-3-METHYLPHENOLA2P7A0.81
ETY4-ethylphenolA,B,C,D2RA60.74
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.9
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.7
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
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.76
2LP2-ALLYLPHENOLA1OV50.77
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.77
TC72,4,5-trichlorophenolA2VCE0.74
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
3CH3-CHLOROPHENOLA1LI30.75
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.77
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.7
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.77
CRSM-CRESOLA,B,C,D1EV30.71
CRSM-CRESOLA,B,C,D,E,F2OMG0.71
CRSM-CRESOLA,B1UZ90.71
CRSM-CRESOLA,B,C,D1ZEH0.71
CRSM-CRESOLA,B,C,D,E,F1ZEI0.71
CRSM-CRESOLA,C,D,E7INS0.71
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.71