Reaction Details Report a problem with these data
Target
Phosphatidylinositol 4-phosphate 5-kinase type-1 alpha
Ligand
BDBM4552
Substrate
n/a
Meas. Tech.
ChEMBL_774304 (CHEMBL1908521)
Kd
3300±n/a nM
Citation
Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Comprehensive analysis of kinase inhibitor selectivity. Nat Biotechnol 29:1046-51 (2011) [PubMed] Article
More Info.:
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:
BDBM4552
Synonyms:
4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-3-quinolinecarbonitrile | 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile | BOSUTINIB | CHEMBL288441 | SKI-606
Type:
Small organic molecule
Emp. Form.:
C26H29Cl2N5O3
Mol. Mass.:
530.446
SMILES:
COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl