Reaction Details  Report a problem with these data
Target
Inositol hexakisphosphate kinase 2
Ligand
BDBM7458
Substrate
n/a
Meas. Tech.
ChEMBL_1868987 (CHEMBL4370053)
IC50
7100±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:
Human
Description:
ChEMBL_119238
Residue:
426
Sequence:
MSPAFRAMDVEPRAKGVLLEPFVHQVGGHSCVLRFNETTLCKPLVPREHQFYETLPAEMRKFTPQYKGVVSVRFEEDEDRNLCLIAYPLKGDHGIVDIVDNSDCEPKSKLLRWTTNKKHHVLETEKTPKDWVRQHRKEEKMKSHKLEEEFEWLKKSEVLYYTVEKKGNISSQLKHYNPWSMKCHQQQLQRMKENAKHRNQYKFILLENLTSRYEVPCVLDLKMGTRQHGDDASEEKAANQIRKCQQSTSAVIGVRVCGMQVYQAGSGQLMFMNKYHGRKLSVQGFKEALFQFFHNGRYLRRELLGPVLKKLTELKAVLERQESYRFYSSSLLVIYDGKERPEVVLDSDAEDLEDLSEESADESAGAYAYKPIGASSVDVRMIDFAHTTCRLYGEDTVVHEGQDAGYIFGLQSLIDIVTEISEESGE
  
Inhibitor
Name:
BDBM7458
Synonyms:
5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one | 5,7-dihydroxy-2-(4-hydroxyphenyl)-chromen-4-one | Apigenin | Apigenin (2) | Apigenin (3) | Apigenin (7) | Apigenin, 13 | CHEMBL28 | Naringenin, 18 | US10278929, Apigenin | US11337935, Compound Apigenin | acs.jmedchem.1c00409_ST.789 | cid_5280443 | jm5b01461, Compound 90
Type:
Small organic molecule
Emp. Form.:
C15H10O5
Mol. Mass.:
270.2369
SMILES:
Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Structure:
Search PDB for entries with ligand similarity: