4XJT

Human CD38 complexed with inhibitor 2 [4-[(2,6-dimethylbenzyl)amino]-2-methylquinoline-8-carboxamide]

Summary for 4XJT

• Entry DOI: 10.2210/pdb4xjt/pdb
• Related: 4XJS
• Descriptor: ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, 4-[(2,6-dimethylbenzyl)amino]-2-methylquinoline-8-carboxamide, [(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4S)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE, ... (4 entities in total)
• Functional Keywords: cd38, hydrolase, transferase
• Biological source: Homo sapiens (Human)
• Cellular location: Membrane; Single-pass type II membrane protein: P28907
• Total number of polymer chains: 1
• Total formula weight: 31260.01

Authors

Shewchuk, L.M.,Deaton, D.N.,Stewart, E. (deposition date: 2015-01-09, release date: 2015-08-26, Last modification date: 2023-09-27)

• Primary citation: Becherer, J.D.,Boros, E.E.,Carpenter, T.Y.,Cowan, D.J.,Deaton, D.N.,Haffner, C.D.,Jeune, M.R.,Kaldor, I.W.,Poole, J.C.,Preugschat, F.,Rheault, T.R.,Schulte, C.A.,Shearer, B.G.,Shearer, T.W.,Shewchuk, L.M.,Smalley, T.L.,Stewart, E.L.,Stuart, J.D.,Ulrich, J.C.; Discovery of 4-Amino-8-quinoline Carboxamides as Novel, Submicromolar Inhibitors of NAD-Hydrolyzing Enzyme CD38.; J.Med.Chem., 58:7021-7056, 2015; PubMed: 26267483; DOI: 10.1021/acs.jmedchem.5b00992

Experimental method

X-RAY DIFFRACTION (2.6 Å)