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Target
Inositol hexakisphosphate kinase 3
Ligand
BDBM50605510
Substrate
n/a
Meas. Tech.
ChEMBL_2251840 (CHEMBL5166050)
IC50
8.0±n/a nM
Citation
 Zhou, Y; Mukherjee, S; Huang, D; Chakraborty, M; Gu, C; Zong, G; Stashko, MA; Pearce, KH; Shears, SB; Chakraborty, A; Wang, H; Wang, X Development of Novel IP6K Inhibitors for the Treatment of Obesity and Obesity-Induced Metabolic Dysfunctions. J Med Chem 65:6869-6887 (2022) [PubMed] 
Target
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:
MVVQNSADAGDMRAGVQLEPFLHQVGGHMSVMKYDEHTVCKPLVSREQRFYESLPLAMKRFTPQYKGTVTVHLWKDSTGHLSLVANPVKESQEPFKVSTESAAVAIWQTLQQTTGSNGSDCTLAQWPHAQLARSPKESPAKALLRSEPHLNTPAFSLVEDTNGNQVERKSFNPWGLQCHQAHLTRLCSEYPENKRHRFLLLENVVSQYTHPCVLDLKMGTRQHGDDASEEKKARHMRKCAQSTSACLGVRICGMQVYQTDKKYFLCKDKYYGRKLSVEGFRQALYQFLHNGSHLRRELLEPILHQLRALLSVIRSQSSYRFYSSSLLVIYDGQEPPERAPGSPHPHEAPQAAHGSSPGGLTKVDIRMIDFAHTTYKGYWNEHTTYDGPDPGYIFGLENLIRILQDIQEGE
  
Inhibitor
Name:
BDBM50605510
Synonyms:
CHEMBL5203174
Type:
Small organic molecule
Emp. Form.:
C20H17ClN2O4
Mol. Mass.:
384.813
SMILES:
OC(=O)c1ccc2NC(=O)C3(CCN(CC3)C(=O)c3ccc(Cl)cc3)c2c1
Structure:
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