Reaction Details | |||
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Target | Integrin alpha-L | ||
Ligand | BDBM50263657 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_535592 (CHEMBL987066) | ||
IC50 | 0.5±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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BDBM50263657 | |||
n/a | |||
Name | BDBM50263657 | ||
Synonyms: | (cis)-4-(3-(4-((E)-3-morpholino-3-oxoprop-1-enyl)-2,3-bis(trifluoromethyl)phenylthio)phenylamino)cyclohexanecarboxylic acid | CHEMBL472841 | ||
Type | Small organic molecule | ||
Emp. Form. | C28H28F6N2O4S | ||
Mol. Mass. | 602.588 | ||
SMILES | OC(=O)[C@@H]1CC[C@@H](CC1)Nc1cccc(Sc2ccc(\C=C\C(=O)N3CCOCC3)c(c2C(F)(F)F)C(F)(F)F)c1 |r,wU:6.9,3.2,(17.88,-22.83,;16.55,-23.6,;15.21,-22.84,;16.55,-25.15,;15.22,-25.92,;15.22,-27.47,;16.56,-28.22,;17.89,-27.45,;17.89,-25.92,;16.57,-29.77,;17.9,-30.53,;17.9,-32.08,;19.23,-32.85,;20.57,-32.08,;20.57,-30.53,;21.9,-29.75,;23.23,-30.52,;23.23,-32.05,;24.57,-32.82,;25.9,-32.04,;27.24,-32.8,;28.57,-32.03,;29.91,-32.79,;29.92,-34.33,;31.23,-32.01,;32.57,-32.78,;33.9,-32.01,;33.89,-30.47,;32.56,-29.71,;31.22,-30.48,;25.88,-30.5,;24.55,-29.74,;24.54,-28.2,;24.53,-26.65,;23,-28.21,;26.08,-28.19,;27.37,-30.09,;28.85,-29.69,;26.96,-28.61,;27.77,-31.58,;19.23,-29.76,)| | ||
Structure |