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Target
Phosphatidylinositol 4-kinase beta
Ligand
BDBM50200101
Substrate
n/a
Meas. Tech.
ChEMBL_1621783 (CHEMBL3864066)
IC50
16±n/a nM
Citation
 Mejdrová, I; Chalupská, D; Placková, P; Müller, C; ?ála, M; Klíma, M; Baumlová, A; Hrebabecký, H; Procházková, E; Dejmek, M; Strunin, D; Weber, J; Lee, G; Matou?ová, M; Mertlíková-Kaiserová, H; Ziebuhr, J; Birkus, G; Boura, E; Nencka, R Rational Design of Novel Highly Potent and Selective Phosphatidylinositol 4-Kinase IIIß (PI4KB) Inhibitors as Broad-Spectrum Antiviral Agents and Tools for Chemical Biology. J Med Chem 60:100-118 (2017) [PubMed]  Article 
Target
Name:
Phosphatidylinositol 4-kinase beta
Synonyms:
NPIK | PI4-kinase beta subunit | PI4K-beta | PI4K92 | PI4KB | PI4KB_HUMAN | PI4Kbeta | PIK4B | PIK4CB | Phosphatidylinositol 4-kinase beta | Phosphatidylinositol 4-kinase, PI4K | PtdIns 4-kinase beta
Type:
Protein
Mol. Mass.:
91373.30
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
816
Sequence:
MGDTVVEPAPLKPTSEPTSGPPGNNGGSLLSVITEGVGELSVIDPEVAQKACQEVLEKVKLLHGGVAVSSRGTPLELVNGDGVDSEIRCLDDPPAQIREEEDEMGAAVASGTAKGARRRRQNNSAKQSWLLRLFESKLFDISMAISYLYNSKEPGVQAYIGNRLFCFRNEDVDFYLPQLLNMYIHMDEDVGDAIKPYIVHRCRQSINFSLQCALLLGAYSSDMHISTQRHSRGTKLRKLILSDELKPAHRKRELPSLSPAPDTGLSPSKRTHQRSKSDATASISLSSNLKRTASNPKVENEDEELSSSTESIDNSFSSPVRLAPEREFIKSLMAIGKRLATLPTKEQKTQRLISELSLLNHKLPARVWLPTAGFDHHVVRVPHTQAVVLNSKDKAPYLIYVEVLECENFDTTSVPARIPENRIRSTRSVENLPECGITHEQRAGSFSTVPNYDNDDEAWSVDDIGELQVELPEVHTNSCDNISQFSVDSITSQESKEPVFIAAGDIRRRLSEQLAHTPTAFKRDPEDPSAVALKEPWQEKVRRIREGSPYGHLPNWRLLSVIVKCGDDLRQELLAFQVLKQLQSIWEQERVPLWIKPYKILVISADSGMIEPVVNAVSIHQVKKQSQLSLLDYFLQEHGSYTTEAFLSAQRNFVQSCAGYCLVCYLLQVKDRHNGNILLDAEGHIIHIDFGFILSSSPRNLGFETSAFKLTTEFVDVMGGLDGDMFNYYKMLMLQGLIAARKHMDKVVQIVEIMQQGSQLPCFHGSSTIRNLKERFHMSMTEEQLQLLVEQMVDGSMRSITTKLYDGFQYLTNGIM
  
Inhibitor
Name:
BDBM50200101
Synonyms:
CHEMBL3947384
Type:
Small organic molecule
Emp. Form.:
C28H34ClN7O3S
Mol. Mass.:
584.133
SMILES:
CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)NC2CCC(N)CC2)ccn1 |(11.1,-17.02,;11.1,-18.55,;9.77,-19.32,;9.77,-20.86,;8.43,-21.63,;8.43,-23.17,;9.77,-23.94,;9.77,-25.48,;8.43,-26.25,;8.43,-27.79,;7.1,-28.56,;9.77,-28.56,;11.1,-27.79,;12.56,-28.27,;13.48,-27.02,;15.02,-27.02,;12.56,-25.77,;11.1,-26.25,;13.04,-29.73,;12.01,-30.88,;12.48,-32.34,;13.99,-32.66,;14.47,-34.12,;13.44,-35.27,;15.03,-31.52,;14.55,-30.05,;16.53,-31.83,;16.92,-30.34,;18.02,-31.43,;17.22,-33.21,;18.76,-33.29,;19.46,-34.66,;21,-34.74,;21.84,-33.45,;23.38,-33.53,;21.14,-32.07,;19.6,-32,;7.1,-20.86,;7.1,-19.32,;8.43,-18.55,)|
Structure:
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