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Target
C-1-tetrahydrofolate synthase, cytoplasmic
Ligand
BDBM50509354
Substrate
n/a
Meas. Tech.
ChEMBL_1838002 (CHEMBL4338135)
IC50
4200±n/a nM
Citation
 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 Discovery of a Potent, Selective, and Orally Available MTHFD2 Inhibitor (DS18561882) with in Vivo Antitumor Activity. J Med Chem 62:10204-10220 (2019) [PubMed]  Article 
Target
Name:
C-1-tetrahydrofolate synthase, cytoplasmic
Synonyms:
C-1-tetrahydrofolate synthase, cytoplasmic | C1-THF synthase | C1TC_HUMAN | Formyltetrahydrofolate synthetase | MTHFC | MTHFD | MTHFD1 | Methenyltetrahydrofolate cyclohydrolase | Methylenetetrahydrofolate dehydrogenase
Type:
PROTEIN
Mol. Mass.:
101566.59
Organism:
Homo sapiens (Human)
Description:
ChEMBL_257
Residue:
935
Sequence:
MAPAEILNGKEISAQIRARLKNQVTQLKEQVPGFTPRLAILQVGNRDDSNLYINVKLKAAEEIGIKATHIKLPRTTTESEVMKYITSLNEDSTVHGFLVQLPLDSENSINTEEVINAIAPEKDVDGLTSINAGRLARGDLNDCFIPCTPKGCLELIKETGVPIAGRHAVVVGRSKIVGAPMHDLLLWNNATVTTCHSKTAHLDEEVNKGDILVVATGQPEMVKGEWIKPGAIVIDCGINYVPDDKKPNGRKVVGDVAYDEAKERASFITPVPGGVGPMTVAMLMQSTVESAKRFLEKFKPGKWMIQYNNLNLKTPVPSDIDISRSCKPKPIGKLAREIGLLSEEVELYGETKAKVLLSALERLKHRPDGKYVVVTGITPTPLGEGKSTTTIGLVQALGAHLYQNVFACVRQPSQGPTFGIKGGAAGGGYSQVIPMEEFNLHLTGDIHAITAANNLVAAAIDARIFHELTQTDKALFNRLVPSVNGVRRFSDIQIRRLKRLGIEKTDPTTLTDEEINRFARLDIDPETITWQRVLDTNDRFLRKITIGQAPTEKGHTRTAQFDISVASEIMAVLALTTSLEDMRERLGKMVVASSKKGEPVSAEDLGVSGALTVLMKDAIKPNLMQTLEGTPVFVHAGPFANIAHGNSSIIADRIALKLVGPEGFVVTEAGFGADIGMEKFFNIKCRYSGLCPHVVVLVATVRALKMHGGGPTVTAGLPLPKAYIQENLELVEKGFSNLKKQIENARMFGIPVVVAVNAFKTDTESELDLISRLSREHGAFDAVKCTHWAEGGKGALALAQAVQRAAQAPSSFQLLYDLKLPVEDKIRIIAQKIYGADDIELLPEAQHKAEVYTKQGFGNLPICMAKTHLSLSHNPEQKGVPTGFILPIRDIRASVGAGFLYPLVGTMSTMPGLPTRPCFYDIDLDPETEQVNGLF
  
Inhibitor
Name:
BDBM50509354
Synonyms:
CHEMBL4542665
Type:
Small organic molecule
Emp. Form.:
C26H29BrN4O5S
Mol. Mass.:
589.501
SMILES:
CN1CCN(CC1)c1ccc2c3CCN(Cc3c(=O)oc2c1C)C(=O)c1ccc(NS(C)(=O)=O)c(Br)c1
Structure:
Search PDB for entries with ligand similarity: