3M6F
CD11A I-domain complexed with 6-((5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL)-1-METHYL-2,4-DIOXO-1,3,7- TRIAZASPIRO[4.4]NON-7-YL)NICOTINIC ACID
Summary for 3M6F
Entry DOI | 10.2210/pdb3m6f/pdb |
Descriptor | Integrin alpha-L, 6-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl]pyridine-3-carboxylic acid, NITRATE ION, ... (4 entities in total) |
Functional Keywords | lfa1, inhibitor, alternative splicing, calcium, cell adhesion, disulfide bond, glycoprotein, integrin, magnesium, membrane, polymorphism, receptor, transmembrane |
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 | 21534.35 |
Authors | Sheriff, S. (deposition date: 2010-03-15, release date: 2010-05-12, Last modification date: 2023-09-06) |
Primary citation | Watterson, S.H.,Xiao, Z.,Dodd, D.S.,Tortolani, D.R.,Vaccaro, W.,Potin, D.,Launay, M.,Stetsko, D.K.,Skala, S.,Davis, P.M.,Lee, D.,Yang, X.,McIntyre, K.W.,Balimane, P.,Patel, K.,Yang, Z.,Marathe, P.,Kadiyala, P.,Tebben, A.J.,Sheriff, S.,Chang, C.Y.,Ziemba, T.,Zhang, H.,Chen, B.C.,DelMonte, A.J.,Aranibar, N.,McKinnon, M.,Barrish, J.C.,Suchard, S.J.,Murali Dhar, T.G. Small molecule antagonist of leukocyte function associated antigen-1 (LFA-1): structure-activity relationships leading to the identification of 6-((5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)nicotinic acid (BMS-688521). J.Med.Chem., 53:3814-3830, 2010 Cited by PubMed: 20405922DOI: 10.1021/jm100348u PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.85 Å) |
Structure validation
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