Reaction Details Report a problem with these data
Target
Inositol hexakisphosphate kinase 1
Ligand
BDBM50605484
Substrate
n/a
Meas. Tech.
ChEMBL_2251834 (CHEMBL5166044)
IC50
27±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 1
Synonyms:
2.7.4.21 | IHPK1 | IP6K1 | IP6K1_HUMAN | Inositol hexakisphosphate kinase 1 | Inositol hexaphosphate kinase 1 | InsP6 kinase 1 | KIAA0263
Type:
PROTEIN
Mol. Mass.:
50242.08
Organism:
Homo sapiens
Description:
ChEMBL_119168
Residue:
441
Sequence:
MCVCQTMEVGQYGKNASRAGDRGVLLEPFIHQVGGHSSMMRYDDHTVCKPLISREQRFYESLPPEMKEFTPEYKGVVSVCFEGDSDGYINLVAYPYVESETVEQDDTTEREQPRRKHSRRSLHRSGSGSDHKEEKASLSLETSESSQEAKSPKVELHSHSEVPFQMLDGNSGLSSEKISHNPWSLRCHKQQLSRMRSESKDRKLYKFLLLENVVHHFKYPCVLDLKMGTRQHGDDASAEKAARQMRKCEQSTSATLGVRVCGMQVYQLDTGHYLCRNKYYGRGLSIEGFRNALYQYLHNGLDLRRDLFEPILSKLRGLKAVLERQASYRFYSSSLLVIYDGKECRAESCLDRRSEMRLKHLDMVLPEVASSCGPSTSPSNTSPEAGPSSQPKVDVRMIDFAHSTFKGFRDDPTVHDGPDRGYVFGLENLISIMEQMRDENQ
  
Inhibitor
Name:
BDBM50605484
Synonyms:
CHEMBL5181623
Type:
Small organic molecule
Emp. Form.:
C22H15NO3
Mol. Mass.:
341.3594
SMILES:
OC(=O)\C=C\c1ccc2noc(-c3ccc(cc3)-c3ccccc3)c2c1
Structure:
Search PDB for entries with ligand similarity: