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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 DOI10.2210/pdb3m6f/pdb
DescriptorIntegrin 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 Keywordslfa1, inhibitor, alternative splicing, calcium, cell adhesion, disulfide bond, glycoprotein, integrin, magnesium, membrane, polymorphism, receptor, transmembrane
Biological sourceHomo sapiens (human)
Cellular locationCell membrane ; Single-pass type I membrane protein : P20701
Total number of polymer chains1
Total formula weight21534.35
Authors
Sheriff, S. (deposition date: 2010-03-15, release date: 2010-05-12, Last modification date: 2023-09-06)
Primary citationWatterson, 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: 20405922
DOI: 10.1021/jm100348u
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.85 Å)
Structure validation

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