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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00046353

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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,D1Y0G0.7
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.84
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.84
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.74
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.72
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5U0.78
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B3E6B0.78
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5X0.78
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B2H6B0.78
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDC3E6C0.78
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.79
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.7
MBD3-METHYLCATECHOLA1KNF0.7
PCRP-CRESOLA1JHV0.72
PCRP-CRESOLA1JHU0.72
PCRP-CRESOLA,B,C,D1DIQ0.72
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.79
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.76
ETY4-ethylphenolA,B,C,D2RA60.7
2LP2-ALLYLPHENOLA1OV50.74
TC72,4,5-trichlorophenolA2VCE0.77
2CH2-CHLOROPHENOLA1WBO0.79
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.7
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.7
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.71
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.7
43M4-CHLORO-3-METHYLPHENOLA2P7A0.81
CHB3-CHLORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCH0.73
C2U3,5-dichloro-2-hydroxybenzoic acidA3C3U0.81
C2U3,5-dichloro-2-hydroxybenzoic acidA3CV70.81
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.72
3CH3-CHLOROPHENOLA1LI30.75
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