3GHC

Design, Synthesis, and X-ray Crystal Structure of Classical and Nonclassical 2-amino-4-oxo-5-substituted-6-thieno[2,3-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors and as potential antitumor agenst

Summary for 3GHC

Entry DOI	10.2210/pdb3ghc/pdb
Related	3GHV 3GHW 3f84
Descriptor	Dihydrofolate reductase, N-({4-[(2-amino-6-ethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-5-yl)sulfanyl]phenyl}carbonyl)-L-glutamic acid, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... (5 entities in total)
Functional Keywords	protein inhibitor complex folate analogues, nadp, one-carbon metabolism, oxidoreductase
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	22791.58
Authors	Cody, V. (deposition date: 2009-03-03, release date: 2009-09-22, Last modification date: 2023-09-06)
Primary citation	Gangjee, A.,Li, W.,Kisliuk, R.L.,Cody, V.,Pace, J.,Piraino, J.,Makin, J. Design, synthesis, and X-ray crystal structure of classical and nonclassical 2-amino-4-oxo-5-substituted-6-ethylthieno[2,3-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors and as potential antitumor agents J.Med.Chem., 52:4892-4902, 2009 Cited by PubMed: 19719239 DOI: 10.1021/jm900490a PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.3 Å)

Structure validation