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TitleDiscovery of a Potent, Selective, and Orally Available MTHFD2 Inhibitor (DS18561882) with in Vivo Antitumor Activity.
Journal, issue, pagesJ. Med. Chem., Vol. 62, Page 10204-10220, Year 2019
Publish dateJul 10, 2019 (structure data deposition date)
AuthorsKawai, J. / Toki, T. / Ota, M. / Inoue, H. / Takata, Y. / Asahi, T. / Suzuki, M. / Shimada, T. / Ono, K. / Suzuki, K. ...Kawai, J. / Toki, T. / Ota, M. / Inoue, H. / Takata, Y. / Asahi, T. / Suzuki, M. / Shimada, T. / Ono, K. / Suzuki, K. / Takaishi, S. / Ohki, H. / Matsui, S. / Tsutsumi, S. / Hirota, Y. / Nakayama, K.
External linksJ. Med. Chem. / PubMed:31638799
MethodsX-ray diffraction
Resolution2.25 Å
Structure data

PDB-6kg2:
Human MTHFD2 in complex with Compound 18
Method: X-RAY DIFFRACTION / Resolution: 2.25 Å

Chemicals

ChemComp-D8C:
N-[2-chloranyl-4-[[7-methyl-8-(4-methylpiperazin-1-yl)-5-oxidanylidene-2,4-dihydro-1H-chromeno[3,4-c]pyridin-3-yl]carbonyl]phenyl]methanesulfonamide

ChemComp-NAD:
NICOTINAMIDE-ADENINE-DINUCLEOTIDE / NAD*YM

ChemComp-PO4:
PHOSPHATE ION

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / INHIBITOR / FOLATE / COFACTOR / DEHYDROGENASE

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