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Target
S-adenosylmethionine synthase isoform type-2
Ligand
BDBM50604356
Substrate
n/a
Meas. Tech.
ChEMBL_2247527 (CHEMBL5161737)
IC50
14±n/a nM
Citation
 Li, M; Konteatis, Z; Nagaraja, N; Chen, Y; Zhou, S; Ma, G; Gross, S; Marjon, K; Hyer, ML; Mandley, E; Lein, M; Padyana, AK; Jin, L; Tong, S; Peters, R; Murtie, J; Travins, J; Medeiros, M; Liu, P; Frank, V; Judd, ET; Biller, SA; Marks, KM; Sui, Z; Reznik, SK Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads. J Med Chem 65:4600-4615 (2022) [PubMed] 
Target
Name:
S-adenosylmethionine synthase isoform type-2
Synonyms:
AMS2 | AdoMet synthase 2 | MAT 2 | MAT-II | MAT2A | MATA2 | METK2_HUMAN | Methionine adenosyltransferase 2 | Methionine adenosyltransferase II
Type:
Protein
Mol. Mass.:
43659.65
Organism:
Human
Description:
P31153
Residue:
395
Sequence:
MNGQLNGFHEAFIEEGTFLFTSESVGEGHPDKICDQISDAVLDAHLQQDPDAKVACETVAKTGMILLAGEITSRAAVDYQKVVREAVKHIGYDDSSKGFDYKTCNVLVALEQQSPDIAQGVHLDRNEEDIGAGDQGLMFGYATDETEECMPLTIVLAHKLNAKLAELRRNGTLPWLRPDSKTQVTVQYMQDRGAVLPIRVHTIVISVQHDEEVCLDEMRDALKEKVIKAVVPAKYLDEDTIYHLQPSGRFVIGGPQGDAGLTGRKIIVDTYGGWGAHGGGAFSGKDYTKVDRSAAYAARWVAKSLVKGGLCRRVLVQVSYAIGVSHPLSISIFHYGTSQKSERELLEIVKKNFDLRPGVIVRDLDLKKPIYQRTAAYGHFGRDSFPWEVPKKLKY
  
Inhibitor
Name:
BDBM50604356
Synonyms:
CHEMBL5178902
Type:
Small organic molecule
Emp. Form.:
C23H16ClF3N6O
Mol. Mass.:
484.861
SMILES:
Cn1cc2cc(ccc2n1)-n1cc2cnc(NCC(F)(F)F)nc2c(-c2ccc(Cl)cc2)c1=O
Structure:
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