Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetInositol hexakisphosphate kinase 3
LigandBDBM50605490
Substrate/Competitorn/a
Meas. Tech.ChEMBL_2251836 (CHEMBL5166046)
IC50 1790±n/a nM
Citation Zhou, YMukherjee, SHuang, DChakraborty, MGu, CZong, GStashko, MAPearce, KHShears, SBChakraborty, AWang, HWang, X Development of Novel IP6K Inhibitors for the Treatment of Obesity and Obesity-Induced Metabolic Dysfunctions. J Med Chem65:6869-6887 (2022) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Inositol hexakisphosphate kinase 3
Name:Inositol hexakisphosphate kinase 3
Synonyms:2.7.4.21 | IHPK3 | IP6K3 | IP6K3_HUMAN | Inositol hexakisphosphate kinase 3 | Inositol hexaphosphate kinase 3 | InsP6 kinase 3
Type:PROTEIN
Mol. Mass.:46429.62
Organism:Homo sapiens
Description:ChEMBL_119181
Residue:410
Sequence:
MVVQNSADAGDMRAGVQLEPFLHQVGGHMSVMKYDEHTVCKPLVSREQRFYESLPLAMKR
FTPQYKGTVTVHLWKDSTGHLSLVANPVKESQEPFKVSTESAAVAIWQTLQQTTGSNGSD
CTLAQWPHAQLARSPKESPAKALLRSEPHLNTPAFSLVEDTNGNQVERKSFNPWGLQCHQ
AHLTRLCSEYPENKRHRFLLLENVVSQYTHPCVLDLKMGTRQHGDDASEEKKARHMRKCA
QSTSACLGVRICGMQVYQTDKKYFLCKDKYYGRKLSVEGFRQALYQFLHNGSHLRRELLE
PILHQLRALLSVIRSQSSYRFYSSSLLVIYDGQEPPERAPGSPHPHEAPQAAHGSSPGGL
TKVDIRMIDFAHTTYKGYWNEHTTYDGPDPGYIFGLENLIRILQDIQEGE
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50605490
n/a
NameBDBM50605490
Synonyms:CHEMBL5175579
TypeSmall organic molecule
Emp. Form.C19H18N2O3
Mol. Mass.322.3578
SMILESOC(=O)c1ccc2noc(-c3ccc(cc3)N3CCCCC3)c2c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: