Reaction Details | |||
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Target | Integrin alpha-L | ||
Ligand | BDBM50263709 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_535592 (CHEMBL987066) | ||
IC50 | 3.2±n/a nM | ||
Citation | Guckian, KM; Lin, EY; Silvian, L; Friedman, JE; Chin, D; Scott, DM Design and synthesis of a series of meta aniline-based LFA-1 ICAM inhibitors. Bioorg Med Chem Lett18:5249-51 (2008) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Integrin alpha-L | |||
Name: | Integrin alpha-L | ||
Synonyms: | CD11 antigen-like family member A | CD11A | CD_antigen=CD11a | ITAL_HUMAN | ITGAL | Integrin alpha-L/beta-2 (LFA-1) | LFA-1A | Leukocyte adhesion glycoprotein LFA-1 alpha | Leukocyte adhesion glycoprotein LFA-1 alpha chain | Leukocyte function-associated molecule 1 alpha chain | ||
Type: | PROTEIN | ||
Mol. Mass.: | 128748.90 | ||
Organism: | Homo sapiens (Human) | ||
Description: | ChEMBL_629045 | ||
Residue: | 1170 | ||
Sequence: |
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BDBM50263709 | |||
n/a | |||
Name | BDBM50263709 | ||
Synonyms: | (cis)-4-((3-(4-((E)-3-morpholino-3-oxoprop-1-enyl)-2,3-bis(trifluoromethyl)phenylthio)phenylamino)methyl)cyclohexanecarboxylic acid | CHEMBL500859 | ||
Type | Small organic molecule | ||
Emp. Form. | C29H30F6N2O4S | ||
Mol. Mass. | 616.615 | ||
SMILES | OC(=O)[C@@H]1CC[C@H](CNc2cccc(Sc3ccc(\C=C\C(=O)N4CCOCC4)c(c3C(F)(F)F)C(F)(F)F)c2)CC1 |r,wD:6.6,3.2,(10.66,-44.2,;10.67,-45.74,;9.33,-46.52,;12.01,-46.51,;13.34,-45.74,;14.67,-46.5,;14.67,-48.04,;16.01,-48.81,;16.02,-50.35,;17.35,-51.12,;17.35,-52.66,;18.68,-53.43,;20.02,-52.66,;20.01,-51.11,;21.34,-50.33,;22.68,-51.1,;22.68,-52.63,;24.02,-53.4,;25.35,-52.62,;26.69,-53.39,;28.02,-52.61,;29.35,-53.37,;29.36,-54.91,;30.68,-52.59,;32.02,-53.36,;33.35,-52.59,;33.34,-51.05,;32.01,-50.29,;30.67,-51.06,;25.33,-51.08,;24,-50.32,;23.99,-48.78,;23.98,-47.23,;22.45,-48.79,;25.53,-48.77,;26.82,-50.67,;28.3,-50.27,;26.41,-49.19,;27.22,-52.16,;18.68,-50.34,;13.35,-48.82,;12.01,-48.05,)| | ||
Structure |