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Target
Phosphatidylinositol 4-phosphate 5-kinase type-1 alpha
Ligand
BDBM50599594
Substrate
n/a
Meas. Tech.
ChEMBL_2231145 (CHEMBL5144917)
IC50
95±n/a nM
Citation
 Andrews, DM; Cartic, S; Cosulich, S; Divecha, N; Faulder, P; Flemington, V; Kern, O; Kettle, JG; MacDonald, E; McKelvie, J; Pike, KG; Roberts, B; Rowlinson, R; Smith, JM; Stockley, M; Swarbrick, ME; Treinies, I; Waring, MJ Identification and optimization of a novel series of selective PIP5K inhibitors. Bioorg Med Chem 54:0 (2022) [PubMed]  Article
Target
Name:
Phosphatidylinositol 4-phosphate 5-kinase type-1 alpha
Synonyms:
PI51A_HUMAN | PIP5K1A | Phosphatidylinositol-4-phosphate 5-kinase type-1 alpha
Type:
PROTEIN
Mol. Mass.:
62644.19
Organism:
Homo sapiens (Human)
Description:
ChEMBL_774304
Residue:
562
Sequence:
MASASSGPSSSVGFSSFDPAVPSCTLSSAASGIKRPMASEVLEARQDSYISLVPYASGMPIKKIGHRSVDSSGETTYKKTTSSALKGAIQLGITHTVGSLSTKPERDVLMQDFYVVESIFFPSEGSNLTPAHHYNDFRFKTYAPVAFRYFRELFGIRPDDYLYSLCSEPLIELCSSGASGSLFYVSSDDEFIIKTVQHKEAEFLQKLLPGYYMNLNQNPRTLLPKFYGLYCVQAGGKNIRIVVMNNLLPRSVKMHIKYDLKGSTYKRRASQKEREKPLPTFKDLDFLQDIPDGLFLDADMYNALCKTLQRDCLVLQSFKIMDYSLLMSIHNIDHAQREPLSSETQYSVDTRRPAPQKALYSTAMESIQGEARRGGTMETDDHMGGIPARNSKGERLLLYIGIIDILQSYRFVKKLEHSWKALVHDGDTVSVHRPGFYAERFQRFMCNTVFKKIPLKPSPSKKFRSGSSFSRRAGSSGNSCITYQPSVSGEHKAQVTTKAEVEPGVHLGRPDVLPQTPPLEEISEGSPIPDPSFSPLVGETLQMLTTSTTLEKLEVAESEFTH
  
Inhibitor
Name:
BDBM50599594
Synonyms:
CHEMBL5171272
Type:
Small organic molecule
Emp. Form.:
C25H26N4O3
Mol. Mass.:
430.4989
SMILES:
CNC(=O)c1cc(Nc2ccccc2)cc(c1)-c1ccnc(NC(=O)C2CCOCC2)c1
Structure:
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