Reaction Details | |||
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Target | Integrin alpha-L | ||
Ligand | BDBM50264879 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_497066 (CHEMBL997702) | ||
IC50 | 3.4±n/a nM | ||
Citation | Lin, EY; Guckian, KM; Silvian, L; Chin, D; Boriack-Sjodin, PA; van Vlijmen, H; Friedman, JE; Scott, DM Structure-activity relationship of ortho- and meta-phenol based LFA-1 ICAM inhibitors. Bioorg Med Chem Lett18:5245-8 (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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BDBM50264879 | |||
n/a | |||
Name | BDBM50264879 | ||
Synonyms: | (cis)-4-((3-(4-((E)-3-morpholino-3-oxoprop-1-enyl)-2,3-bis(trifluoromethyl)phenylthio)phenoxy)methyl)cyclohexanecarboxylic acid | CHEMBL446300 | ||
Type | Small organic molecule | ||
Emp. Form. | C29H29F6NO5S | ||
Mol. Mass. | 617.6 | ||
SMILES | OC(=O)[C@@H]1CC[C@H](COc2cccc(Sc3ccc(\C=C\C(=O)N4CCOCC4)c(c3C(F)(F)F)C(F)(F)F)c2)CC1 |r,wU:6.6,3.2,(15.83,-23.61,;15.83,-25.15,;14.5,-25.93,;17.16,-25.92,;17.17,-27.47,;18.5,-28.23,;19.82,-27.46,;21.16,-28.23,;21.16,-29.77,;22.49,-30.54,;22.49,-32.09,;23.82,-32.86,;25.16,-32.09,;25.15,-30.54,;26.49,-29.76,;27.82,-30.53,;27.82,-32.06,;29.16,-32.83,;30.49,-32.05,;31.83,-32.81,;33.16,-32.04,;34.49,-32.8,;35.82,-32.02,;34.5,-34.34,;33.17,-35.11,;33.17,-36.64,;34.51,-37.41,;35.84,-36.64,;35.84,-35.09,;30.48,-30.5,;29.14,-29.75,;29.13,-28.21,;29.12,-26.66,;27.59,-28.22,;30.67,-28.2,;31.81,-29.72,;33.13,-28.94,;32.59,-31.05,;31.8,-28.18,;23.82,-29.77,;19.83,-25.92,;18.5,-25.15,)| | ||
Structure |