Target
Beta-hexosaminidase subunit beta
Ligand
BDBM18512
Substrate
n/a
Meas. Tech.
ChEMBL_1496350 (CHEMBL3579954)
pH
4.5±n/a
IC50
9100±n/a nM
Comments
extracted
Citation
 Tropak, MBZhang, JYonekawa, SRigat, BAAulakh, VSSmith, MRHwang, HJCiufolini, MAMahuran, 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 beta
Synonyms:
Beta-N-acetylhexosaminidase subunit beta | Beta-hexosaminidase subunit beta | Beta-hexosaminidase subunit beta (Hex B) | HEXB | HEXB_HUMAN | Hexosaminidase subunit B
Type:
Enzyme
Mol. Mass.:
63112.58
Organism:
Homo sapiens (Human)
Description:
P07686
Residue:
556
Sequence:
MELCGLGLPRPPMLLALLLATLLAAMLALLTQVALVVQVAEAARAPSVSAKPGPALWPLPLSVKMTPNLLHLAPENFYISHSPNSTAGPSCTLLEEAFRRYHGYIFGFYKWHHEPAEFQAKTQVQQLLVSITLQSECDAFPNISSDESYTLLVKEPVAVLKANRVWGALRGLETFSQLVYQDSYGTFTINESTIIDSPRFSHRGILIDTSRHYLPVKIILKTLDAMAFNKFNVLHWHIVDDQSFPYQSITFPELSNKGSYSLSHVYTPNDVRMVIEYARLRGIRVLPEFDTPGHTLSWGKGQKDLLTPCYSRQNKLDSFGPINPTLNTTYSFLTTFFKEISEVFPDQFIHLGGDEVEFKCWESNPKIQDFMRQKGFGTDFKKLESFYIQKVLDIIATINKGSIVWQEVFDDKAKLAPGTIVEVWKDSAYPEELSRVTASGFPVILSAPWYLDLISYGQDWRKYYKVEPLDFGGTQKQKQLFIGGEACLWGEYVDATNLTPRLWPRASAVGERLWSSKDVRDMDDAYDRLTRHRCRMVERGIAAQPLYAGYCNHENM
  
Inhibitor
Name:
BDBM18512
Synonyms:
5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine | CHEMBL36 | Pyrimethamine (Pyr) | US11530198, Example Pyrimethamine | cid_4993
Type:
Small organic molecule
Emp. Form.:
C12H13ClN4
Mol. Mass.:
248.711
SMILES:
CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
Structure:
Search PDB for entries with ligand similarity: