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 | 3f84 3GHV 3GHW |
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: 19719239DOI: 10.1021/jm900490a PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.3 Å) |
Structure validation
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