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Target
Beta-hexosaminidase subunit alpha
Ligand
BDBM18780
Substrate
n/a
Meas. Tech.
ChEMBL_1496352 (CHEMBL3579956)
IC50
18000±n/a nM
Citation
 Tropak, MB; Zhang, J; Yonekawa, S; Rigat, BA; Aulakh, VS; Smith, MR; Hwang, HJ; Ciufolini, MA; Mahuran, DJ Pyrimethamine Derivatives: Insight into Binding Mechanism and Improved Enhancement of Mutantß-N-acetylhexosaminidase Activity. J Med Chem 58:4483-93 (2015) [PubMed]  Article 
Target
Name:
Beta-hexosaminidase subunit alpha
Synonyms:
Beta-N-acetylhexosaminidase subunit alpha | Beta-hexosaminidase subunit alpha (HexA) | HEXA | HEXA_HUMAN
Type:
Protein
Mol. Mass.:
60688.46
Organism:
Homo sapiens (Human)
Description:
P06865
Residue:
529
Sequence:
MTSSRLWFSLLLAAAFAGRATALWPWPQNFQTSDQRYVLYPNNFQFQYDVSSAAQPGCSVLDEAFQRYRDLLFGSGSWPRPYLTGKRHTLEKNVLVVSVVTPGCNQLPTLESVENYTLTINDDQCLLLSETVWGALRGLETFSQLVWKSAEGTFFINKTEIEDFPRFPHRGLLLDTSRHYLPLSSILDTLDVMAYNKLNVFHWHLVDDPSFPYESFTFPELMRKGSYNPVTHIYTAQDVKEVIEYARLRGIRVLAEFDTPGHTLSWGPGIPGLLTPCYSGSEPSGTFGPVNPSLNNTYEFMSTFFLEVSSVFPDFYLHLGGDEVDFTCWKSNPEIQDFMRKKGFGEDFKQLESFYIQTLLDIVSSYGKGYVVWQEVFDNKVKIQPDTIIQVWREDIPVNYMKELELVTKAGFRALLSAPWYLNRISYGPDWKDFYIVEPLAFEGTPEQKALVIGGEACMWGEYVDNTNLVPRLWPRAGAVAERLWSNKLTSDLTFAYERLSHFRCELLRRGVQAQPLNVGFCEQEFEQT
  
Inhibitor
Name:
BDBM18780
Synonyms:
6-ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine | CHEMBL281412 | P18
Type:
Small organic molecule
Emp. Form.:
C13H16N4O
Mol. Mass.:
244.2923
SMILES:
CCc1nc(N)nc(N)c1-c1ccc(OC)cc1
Structure:
Search PDB for entries with ligand similarity: