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Target
Arsenite methyltransferase
Ligand
BDBM50082136
Substrate
n/a
Meas. Tech.
ChEMBL_1794870 (CHEMBL4266987)
IC50
8300±n/a nM
Citation
 Bürli, RW; Wei, H; Ernst, G; Mariga, A; Hardern, IM; Herlihy, K; Cross, AJ; Wesolowski, SS; Chen, H; McKay, RDG; Weinberger, DR; Brandon, NJ; Barrow, JC Novel inhibitors of As(III) S-adenosylmethionine methyltransferase (AS3MT) identified by virtual screening. Bioorg Med Chem Lett 28:3231-3235 (2018) [PubMed]  Article 
Target
Name:
Arsenite methyltransferase
Synonyms:
2.1.1.137 | AS3MT | AS3MT_HUMAN | Arsenite methyltransferase | CYT19 | Methylarsonite methyltransferase | S-adenosyl-L-methionine:arsenic(III) methyltransferase
Type:
PROTEIN
Mol. Mass.:
41744.81
Organism:
Homo sapiens
Description:
ChEMBL_118195
Residue:
375
Sequence:
MAALRDAEIQKDVQTYYGQVLKRSADLQTNGCVTTARPVPKHIREALQNVHEEVALRYYGCGLVIPEHLENCWILDLGSGSGRDCYVLSQLVGEKGHVTGIDMTKGQVEVAEKYLDYHMEKYGFQASNVTFIHGYIEKLGEAGIKNESHDIVVSNCVINLVPDKQQVLQEAYRVLKHGGELYFSDVYTSLELPEEIRTHKVLWGECLGGALYWKELAVLAQKIGFCPPRLVTANLITIQNKELERVIGDCRFVSATFRLFKHSKTGPTKRCQVIYNGGITGHEKELMFDANFTFKEGEIVEVDEETAAILKNSRFAQDFLIRPIGEKLPTSGGCSALELKDIITDPFKLAEESDSMKSRCVPDAAGGCCGTKKSC
  
Inhibitor
Name:
BDBM50082136
Synonyms:
CHEMBL3422659
Type:
Small organic molecule
Emp. Form.:
C21H22N6O3
Mol. Mass.:
406.4378
SMILES:
CN(C)C(=O)Cn1c(N)c(C#N)c2cc(Oc3ccc(NC(=O)CN)cc3)ccc12
Structure:
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