Reaction Details | |||
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Target | Integrin alpha-L | ||
Ligand | BDBM50265248 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_497066 (CHEMBL997702) | ||
IC50 | 51±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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BDBM50265248 | |||
n/a | |||
Name | BDBM50265248 | ||
Synonyms: | (E)-3-(4-(2-((trans)-4-methylcyclohexyloxy)phenylthio)-2,3-bis(trifluoromethyl)phenyl)-1-morpholinoprop-2-en-1-one | CHEMBL501977 | ||
Type | Small organic molecule | ||
Emp. Form. | C28H29F6NO3S | ||
Mol. Mass. | 573.59 | ||
SMILES | C[C@H]1CC[C@@H](CC1)Oc1ccccc1Sc1ccc(\C=C\C(=O)N2CCOCC2)c(c1C(F)(F)F)C(F)(F)F |r,wU:4.7,wD:1.0,(-6.83,-7.82,;-5.49,-8.59,;-5.49,-10.13,;-4.16,-10.91,;-2.82,-10.14,;-2.83,-8.59,;-4.16,-7.83,;-1.49,-10.9,;-1.48,-12.44,;-2.81,-13.21,;-2.81,-14.76,;-1.48,-15.53,;-.14,-14.76,;-.15,-13.21,;1.18,-12.43,;2.52,-13.2,;2.52,-14.73,;3.86,-15.5,;5.19,-14.72,;6.53,-15.49,;7.86,-14.71,;9.19,-15.47,;10.52,-14.7,;9.2,-17.01,;7.87,-17.78,;7.87,-19.31,;9.2,-20.08,;10.54,-19.31,;10.54,-17.76,;5.18,-13.17,;3.84,-12.42,;3.83,-10.88,;3.82,-9.33,;2.29,-10.89,;5.37,-10.87,;6.51,-12.4,;7.83,-11.61,;7.29,-13.72,;6.49,-10.85,)| | ||
Structure |