| Reaction Details |
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 | Report a problem with these data |
| Target | S-adenosylmethionine synthase isoform type-2 |
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| Ligand | BDBM50604348 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2247525 (CHEMBL5161735) |
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| IC50 | 22±n/a nM |
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| 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 |
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| More Info.: | Get all data from this article, Assay Method |
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| S-adenosylmethionine synthase isoform type-2 |
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| Name: | S-adenosylmethionine synthase isoform type-2 |
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| Synonyms: | AMS2 | AdoMet synthase 2 | MAT 2 | MAT-II | MAT2A | MATA2 | METK2_HUMAN | Methionine adenosyltransferase 2 | Methionine adenosyltransferase II |
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| Type: | Protein |
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| Mol. Mass.: | 43659.65 |
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| Organism: | Human |
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| Description: | P31153 |
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| Residue: | 395 |
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| Sequence: | MNGQLNGFHEAFIEEGTFLFTSESVGEGHPDKICDQISDAVLDAHLQQDPDAKVACETVA
KTGMILLAGEITSRAAVDYQKVVREAVKHIGYDDSSKGFDYKTCNVLVALEQQSPDIAQG
VHLDRNEEDIGAGDQGLMFGYATDETEECMPLTIVLAHKLNAKLAELRRNGTLPWLRPDS
KTQVTVQYMQDRGAVLPIRVHTIVISVQHDEEVCLDEMRDALKEKVIKAVVPAKYLDEDT
IYHLQPSGRFVIGGPQGDAGLTGRKIIVDTYGGWGAHGGGAFSGKDYTKVDRSAAYAARW
VAKSLVKGGLCRRVLVQVSYAIGVSHPLSISIFHYGTSQKSERELLEIVKKNFDLRPGVI
VRDLDLKKPIYQRTAAYGHFGRDSFPWEVPKKLKY
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| BDBM50604348 |
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| n/a |
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| Name | BDBM50604348 |
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| Synonyms: | CHEMBL5170690 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H16BrF3N4O2 |
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| Mol. Mass. | 505.287 |
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| SMILES | COc1ccc(cc1)-n1cc2cnc(NCC(F)(F)F)nc2c(-c2ccc(Br)cc2)c1=O |
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| Structure | 
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