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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02674189

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2MP3,4-DIMETHYLPHENOLA1L5O0.72
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.74
ETY4-ethylphenolA,B,C,D2RA60.71
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.72
LJ22,6-dibromo-4-[(E)-2-phenylethenyl]phenolA,B3CN10.75
CRSM-CRESOLA,B,C,D1EV30.75
CRSM-CRESOLA,B,C,D,E,F2OMG0.75
CRSM-CRESOLA,B1UZ90.75
CRSM-CRESOLA,B,C,D1ZEH0.75
CRSM-CRESOLA,B,C,D,E,F1ZEI0.75
CRSM-CRESOLA,C,D,E7INS0.75
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.75
MCT4-METHYLCATECHOLA1L4G0.71
MCT4-METHYLCATECHOLA2EHZ0.71
MCT4-METHYLCATECHOLA,B1DMH0.71
2CH2-CHLOROPHENOLA1WBO0.73
2BR2-BROMOPHENOLA,B,C,D2A9W0.76
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.7
MBD3-METHYLCATECHOLA1KNF0.7
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.71
LJ33,5-dibromobiphenyl-4-olA,B3CN20.74
TBP2,4,6-TRIBROMOPHENOLL1E5A0.73
BML4-BROMOPHENOLA,B,E3DHH0.75
BML4-BROMOPHENOLA,B1XU30.75
BML4-BROMOPHENOLA,B1T0S0.75
43M4-CHLORO-3-METHYLPHENOLA2P7A0.87
PCRP-CRESOLA1JHV0.73
PCRP-CRESOLA1JHU0.73
PCRP-CRESOLA,B,C,D1DIQ0.73
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.71
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.71
3CH3-CHLOROPHENOLA1LI30.75