| Reaction Details |
|---|
 | Report a problem with these data |
| Target | S-adenosylmethionine synthase isoform type-2 |
|---|
| Ligand | BDBM50604347 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_2247525 (CHEMBL5161735) |
|---|
| IC50 | 34±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 Chem65:4600-4615 (2022) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| S-adenosylmethionine synthase isoform type-2 |
|---|
| 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: | MNGQLNGFHEAFIEEGTFLFTSESVGEGHPDKICDQISDAVLDAHLQQDPDAKVACETVA
KTGMILLAGEITSRAAVDYQKVVREAVKHIGYDDSSKGFDYKTCNVLVALEQQSPDIAQG
VHLDRNEEDIGAGDQGLMFGYATDETEECMPLTIVLAHKLNAKLAELRRNGTLPWLRPDS
KTQVTVQYMQDRGAVLPIRVHTIVISVQHDEEVCLDEMRDALKEKVIKAVVPAKYLDEDT
IYHLQPSGRFVIGGPQGDAGLTGRKIIVDTYGGWGAHGGGAFSGKDYTKVDRSAAYAARW
VAKSLVKGGLCRRVLVQVSYAIGVSHPLSISIFHYGTSQKSERELLEIVKKNFDLRPGVI
VRDLDLKKPIYQRTAAYGHFGRDSFPWEVPKKLKY
|
|
|
|---|
| BDBM50604347 |
|---|
| n/a |
|---|
| Name | BDBM50604347 |
|---|
| Synonyms: | CHEMBL5206904 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C22H19BrN4O2 |
|---|
| Mol. Mass. | 451.316 |
|---|
| SMILES | CCNc1ncc2cn(-c3ccc(OC)cc3)c(=O)c(-c3ccc(Br)cc3)c2n1 |
|---|
| Structure | 
|
|---|
Search and Browse
