Reaction Details Report a problem with these data
Target
Inositol hexakisphosphate kinase 2
Ligand
BDBM23409
Substrate
n/a
Meas. Tech.
ChEMBL_1868987 (CHEMBL4370053)
IC50
500±n/a nM
Citation
 Gu, C; Stashko, MA; Puhl-Rubio, AC; Chakraborty, M; Chakraborty, A; Frye, SV; Pearce, KH; Wang, X; Shears, SB; Wang, H Inhibition of Inositol Polyphosphate Kinases by Quercetin and Related Flavonoids: A Structure-Activity Analysis. J Med Chem 62:1443-1454 (2019) [PubMed]  Article 
Target
Name:
Inositol hexakisphosphate kinase 2
Synonyms:
2.7.4.- | IHPK2 | IP6K2 | IP6K2_HUMAN | Inositol hexakisphosphate kinase 2 | InsP6 kinase 2 | InsP6K2 | P(i)-uptake stimulator | PiUS
Type:
PROTEIN
Mol. Mass.:
49188.38
Organism:
Homo sapiens
Description:
ChEMBL_119238
Residue:
426
Sequence:
MSPAFRAMDVEPRAKGVLLEPFVHQVGGHSCVLRFNETTLCKPLVPREHQFYETLPAEMRKFTPQYKGVVSVRFEEDEDRNLCLIAYPLKGDHGIVDIVDNSDCEPKSKLLRWTTNKKHHVLETEKTPKDWVRQHRKEEKMKSHKLEEEFEWLKKSEVLYYTVEKKGNISSQLKHYNPWSMKCHQQQLQRMKENAKHRNQYKFILLENLTSRYEVPCVLDLKMGTRQHGDDASEEKAANQIRKCQQSTSAVIGVRVCGMQVYQAGSGQLMFMNKYHGRKLSVQGFKEALFQFFHNGRYLRRELLGPVLKKLTELKAVLERQESYRFYSSSLLVIYDGKERPEVVLDSDAEDLEDLSEESADESAGAYAYKPIGASSVDVRMIDFAHTTCRLYGEDTVVHEGQDAGYIFGLQSLIDIVTEISEESGE
  
Inhibitor
Name:
BDBM23409
Synonyms:
3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one | CHEMBL379064 | Isorhamnetin | Isorhamnetin (17)
Type:
flavonol
Emp. Form.:
C16H12O7
Mol. Mass.:
316.2623
SMILES:
COc1cc(ccc1O)-c1oc2cc(O)cc(O)c2c(=O)c1O
Structure:
Search PDB for entries with ligand similarity: