Reaction Details  Report a problem with these data
Target
Inositol polyphosphate multikinase
Ligand
BDBM50325671
Substrate
n/a
Meas. Tech.
ChEMBL_1868988 (CHEMBL4370054)
IC50
>30000±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 polyphosphate multikinase
Synonyms:
2.7.1.140 | 2.7.1.151 | 2.7.1.153 | IMPK | IPMK | IPMK_HUMAN | Inositol 1,3,4,6-tetrakisphosphate 5-kinase | Inositol polyphosphate multikinase
Type:
PROTEIN
Mol. Mass.:
47229.24
Organism:
Homo sapiens
Description:
ChEMBL_119151
Residue:
416
Sequence:
MATEPPSPLRVEAPGPPEMRTSPAIESTPEGTPQPAGGRLRFLNGCVPLSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQPTTTKLNDRTLAEKFLSKGQLSDTEVLEYNNNFHVLSSTANGKIESSVGKSLSKMYARHRKIYTKKHHSQTSLKVENLEQDNGWKSMSQEHLNGNVLSQLEKVFYHLPTGCQEIAEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN
  
Inhibitor
Name:
BDBM50325671
Synonyms:
(2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE | (S)-2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-chroman-4-one | (S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one | (S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-4-one | 5,7,3',4'-tetrahydroxyflavanone | 5,7,3',4'-tetrahydroxyflavon | CHEMBL8996 | ERIODICTYOL | eriodicryol | eryodictiol | hsp90_170
Type:
Small organic molecule
Emp. Form.:
C15H12O6
Mol. Mass.:
288.2522
SMILES:
Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccc(O)c(O)c1 |r|
Structure:
Search PDB for entries with ligand similarity: