Reaction Details Report a problem with these data
Target
Beta-hexosaminidase subunit alpha
Ligand
BDBM50089680
Substrate
n/a
Meas. Tech.
ChEMBL_1496352 (CHEMBL3579956)
IC50
15000±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:
BDBM50089680
Synonyms:
CHEMBL3577321
Type:
Small organic molecule
Emp. Form.:
C13H13F3N4
Mol. Mass.:
282.2643
SMILES:
CCc1nc(N)nc(N)c1-c1ccc(cc1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: