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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03538294

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
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
TC72,4,5-trichlorophenolA2VCE0.76
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.75
JPM5-benzyl-2-(2,4-dichlorophenoxy)phenolA,B,C,D3FNF0.73
ETY4-ethylphenolA,B,C,D2RA60.71
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.73
EYK2-tert-butylbenzene-1,4-diolB3EYK0.73
JPA4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL-
3-OL
A,B2FOI0.73
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.75
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.72
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.95
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.94
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.72
ANFANTHRONEH2BJM0.72
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.71
CRSM-CRESOLA,B,C,D1EV30.72
CRSM-CRESOLA,B,C,D,E,F2OMG0.72
CRSM-CRESOLA,B1UZ90.72
CRSM-CRESOLA,B,C,D1ZEH0.72
CRSM-CRESOLA,B,C,D,E,F1ZEI0.72
CRSM-CRESOLA,C,D,E7INS0.72
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.72
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.73
DESDIETHYLSTILBESTROLA,B3ERD0.73
DESDIETHYLSTILBESTROLA,B1TT60.73
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.73
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.76
EPTHEPTANYL-P-PHENOLA,B1AHZ0.72
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.74
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.71
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
2MP3,4-DIMETHYLPHENOLA1L5O0.73
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
D1NNAPHTHALENE-1,2-DIOLA2EI10.71
STLRESVERATROLA,B3CKL0.71
STLRESVERATROLA,B,C,D1U0W0.71
STLRESVERATROLA1CGZ0.71
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.71
STLRESVERATROLA1Z1F0.71
STLRESVERATROLA1DVS0.71
STLRESVERATROLA,B1SG00.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.75
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.75
2LP2-ALLYLPHENOLA1OV50.73
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA,B2OOS0.72
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA3FNH0.72
43M4-CHLORO-3-METHYLPHENOLA2P7A0.8
JPN2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOLA,B2OL40.72
3CAA,B2B770.71
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.71
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.71
2CH2-CHLOROPHENOLA1WBO0.76
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.82
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.9
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.9
CHB3-CHLORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCH0.7
1NP1-NAPHTHOLX2ZVQ0.75
3CH3-CHLOROPHENOLA1LI30.74
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.75
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.81
JPL5-(cyclohexa-1,5-dien-1-ylmethyl)-
2-(2,4-dichlorophenoxy)phenol
A3FNG0.72
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.83