Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetBeta-hexosaminidase subunit beta
LigandBDBM18788
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1496350 (CHEMBL3579954)
pH4.5±n/a
IC50 38000±n/a nM
Commentsextracted
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 Chem58:4483-93 (2015) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Beta-hexosaminidase subunit beta
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:
MELCGLGLPRPPMLLALLLATLLAAMLALLTQVALVVQVAEAARAPSVSAKPGPALWPLP
LSVKMTPNLLHLAPENFYISHSPNSTAGPSCTLLEEAFRRYHGYIFGFYKWHHEPAEFQA
KTQVQQLLVSITLQSECDAFPNISSDESYTLLVKEPVAVLKANRVWGALRGLETFSQLVY
QDSYGTFTINESTIIDSPRFSHRGILIDTSRHYLPVKIILKTLDAMAFNKFNVLHWHIVD
DQSFPYQSITFPELSNKGSYSLSHVYTPNDVRMVIEYARLRGIRVLPEFDTPGHTLSWGK
GQKDLLTPCYSRQNKLDSFGPINPTLNTTYSFLTTFFKEISEVFPDQFIHLGGDEVEFKC
WESNPKIQDFMRQKGFGTDFKKLESFYIQKVLDIIATINKGSIVWQEVFDDKAKLAPGTI
VEVWKDSAYPEELSRVTASGFPVILSAPWYLDLISYGQDWRKYYKVEPLDFGGTQKQKQL
FIGGEACLWGEYVDATNLTPRLWPRASAVGERLWSSKDVRDMDDAYDRLTRHRCRMVERG
IAAQPLYAGYCNHENM
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM18788
n/a
NameBDBM18788
Synonyms:6-ethyl-5-phenylpyrimidine-2,4-diamine | CHEMBL22148 | P20
TypeSmall organic molecule
Emp. Form.C12H14N4
Mol. Mass.214.2664
SMILESCCc1nc(N)nc(N)c1-c1ccccc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: