4XJS

Human CD38 complexed with inhibitor 1 [6-fluoro-2-methyl-4-[(2,3,6-trichlorobenzyl)amino]quinoline-8-carboxamide]

Summary for 4XJS

Entry DOI	10.2210/pdb4xjs/pdb
Related	4XJT
Descriptor	ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, 6-fluoro-2-methyl-4-[(2,3,6-trichlorobenzyl)amino]quinoline-8-carboxamide, 5-O-phosphono-alpha-D-ribofuranose, ... (4 entities in total)
Functional Keywords	cd38, hydrolase, transferase
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	30961.09
Authors	Shewchuk, L.M.,Deaton, D.,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 Cited by PubMed: 26267483 DOI: 10.1021/acs.jmedchem.5b00992 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.8 Å)

Structure validation