2O7N

CD11A (LFA1) I-domain complexed with 7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile

Summary for 2O7N

Entry DOI	10.2210/pdb2o7n/pdb
Related	2ICA
Descriptor	Integrin alpha-L, 7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile (3 entities in total)
Functional Keywords	inhibitor, protein-ligand complex, cell adhesion
Biological source	Homo sapiens (human)
Cellular location	Cell membrane ; Single-pass type I membrane protein : P20701
Total number of polymer chains	1
Total formula weight	21344.26
Authors	Sheriff, S. (deposition date: 2006-12-11, release date: 2007-03-20, Last modification date: 2023-08-30)
Primary citation	Dodd, D.S.,Sheriff, S.,Chang, C.J.,Stetsko, D.K.,Phillips, L.M.,Zhang, Y.,Launay, M.,Potin, D.,Vaccaro, W.,Poss, M.A.,McKinnon, M.,Barrish, J.C.,Suchard, S.J.,Murali Dhar, T.G. Design of LFA-1 antagonists based on a 2,3-dihydro-1H-pyrrolizin-5(7aH)-one scaffold. Bioorg.Med.Chem.Lett., 17:1908-1911, 2007 Cited by PubMed Abstract: A new class of lymphocyte function-associated antigen-1 (LFA-1) antagonists is described. Elaboration of the 2,3-dihydro-1H-pyrrolizin-5(7aH)-one scaffold resulted in the synthesis of potent inhibitors of the LFA-1/ICAM-1 interaction. Along with the in vitro activity, we present the X-ray crystal structure of the complex of compound 9b, in a novel binding mode to the I-domain of LFA-1. PubMed: 17291752 DOI: 10.1016/j.bmcl.2007.01.036 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.75 Å)

Structure validation