6R7D

Crystal structure of LTC4S in complex with AZ13690257

Summary for 6R7D

• Entry DOI: 10.2210/pdb6r7d/pdb
• Descriptor: Leukotriene C4 synthase, (1~{S},2~{S})-2-[5-[cyclopropylmethyl(naphthalen-1-yl)amino]-4-methoxy-pyrimidin-2-yl]carbonylcyclopropane-1-carboxylic acid, NICKEL (II) ION, ... (6 entities in total)
• Functional Keywords: inhibitor, arachidonic acid cascade, cysteinyl leukotrienes, membrane protein
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 12
• Total formula weight: 226807.33

Authors

Kack, H.,Ek, M. (deposition date: 2019-03-28, release date: 2019-08-28, Last modification date: 2024-01-24)

• Primary citation: Munck Af Rosenschold, M.,Johannesson, P.,Nikitidis, A.,Tyrchan, C.,Chang, H.F.,Ronn, R.,Chapman, D.,Ullah, V.,Nikitidis, G.,Glader, P.,Kack, H.,Bonn, B.,Wagberg, F.,Bjorkstrand, E.,Andersson, U.,Swedin, L.,Rohman, M.,Andreasson, T.,Bergstrom, E.L.,Jiang, F.,Zhou, X.H.,Lundqvist, A.J.,Malmberg, A.,Ek, M.,Gordon, E.,Pettersen, A.,Ripa, L.,Davis, A.M.; Discovery of the Oral Leukotriene C4 Synthase Inhibitor (1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-fluoro-2-methylpropyl)amino]-3-methoxypyrazin-2-yl}carbonyl)cyclopropanecarboxylic Acid (AZD9898) as a New Treatment for Asthma.; J.Med.Chem., 62:7769-7787, 2019; PubMed: 31415176; DOI: 10.1021/acs.jmedchem.9b00555

Experimental method

X-RAY DIFFRACTION (2.35 Å)