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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03784271

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
2MP3,4-DIMETHYLPHENOLA1L5O0.72
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.7
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.74
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.79
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.75
EPTHEPTANYL-P-PHENOLA,B1AHZ0.72
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.71
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.75
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.75
DESDIETHYLSTILBESTROLA,B3ERD0.75
DESDIETHYLSTILBESTROLA,B1TT60.75
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.75
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
CRSM-CRESOLA,B,C,D1EV30.7
CRSM-CRESOLA,B,C,D,E,F2OMG0.7
CRSM-CRESOLA,B1UZ90.7
CRSM-CRESOLA,B,C,D1ZEH0.7
CRSM-CRESOLA,B,C,D,E,F1ZEI0.7
CRSM-CRESOLA,C,D,E7INS0.7
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.7
2LP2-ALLYLPHENOLA1OV50.73
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.73
2CH2-CHLOROPHENOLA1WBO0.76
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.72
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.71
CHB3-CHLORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCH0.7
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.76
ETY4-ethylphenolA,B,C,D2RA60.75
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.71
43M4-CHLORO-3-METHYLPHENOLA2P7A0.76
AEF4-(2-aminoethyl)phenolA3BRA0.7
PCRP-CRESOLA1JHV0.73
PCRP-CRESOLA1JHU0.73
PCRP-CRESOLA,B,C,D1DIQ0.73
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.76
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.8
3CH3-CHLOROPHENOLA1LI30.73
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.73
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.73
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.71
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.81
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.81
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.72
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.72
1NP1-NAPHTHOLX2ZVQ0.7