Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM50239505
Substrate
n/a
Meas. Tech.
ChEMBL_1666148 (CHEMBL4015944)
IC50
3.7±n/a nM
Citation
 Lee, KLAmbler, CMAnderson, DRBoscoe, BPBree, AGBrodfuehrer, JIChang, JSChoi, CChung, SCurran, KJDay, JEDehnhardt, CMDower, KDrozda, SEFrisbie, RKGavrin, LKGoldberg, JAHan, SHegen, MHepworth, DHope, HRKamtekar, SKilty, ICLee, ALin, LLLovering, FELowe, MDMathias, JPMorgan, HMMurphy, EAPapaioannou, NPatny, APierce, BSRao, VRSaiah, ESamardjiev, IJSamas, BMShen, MWHShin, JHSoutter, HHStrohbach, JWSymanowicz, PTThomason, JRTrzupek, JDVargas, RVincent, FYan, JZapf, CWWright, SW Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design. J Med Chem 60:5521-5542 (2017) [PubMed]  Article 
Target
Name:
Interleukin-1 receptor-associated kinase 4
Synonyms:
IRAK-4 | IRAK4 | IRAK4_HUMAN | Interleukin-1 receptor-associated kinase 4 (IRAK-4) | Interleukin-1 receptor-associated kinase 4 (IRAK4) | Renal carcinoma antigen NY-REN-64
Type:
Protein
Mol. Mass.:
51519.08
Organism:
Homo sapiens (Human)
Description:
Q9NWZ3
Residue:
460
Sequence:
MNKPITPSTYVRCLNVGLIRKLSDFIDPQEGWKKLAVAIKKPSGDDRYNQFHIRRFEALLQTGKSPTSELLFDWGTTNCTVGDLVDLLIQNEFFAPASLLLPDAVPKTANTLPSKEAITVQQKQMPFCDKDRTLMTPVQNLEQSYMPPDSSSPENKSLEVSDTRFHSFSFYELKNVTNNFDERPISVGGNKMGEGGFGVVYKGYVNNTTVAVKKLAAMVDITTEELKQQFDQEIKVMAKCQHENLVELLGFSSDGDDLCLVYVYMPNGSLLDRLSCLDGTPPLSWHMRCKIAQGAANGINFLHENHHIHRDIKSANILLDEAFTAKISDFGLARASEKFAQTVMTSRIVGTTAYMAPEALRGEITPKSDIYSFGVVLLEIITGLPAVDEHREPQLLLDIKEEIEDEEKTIEDYIDKKMNDADSTSVEAMYSVASQCLHEKKNKRPDIKKVQQLLQEMTAS
  
Inhibitor
Name:
BDBM50239505
Synonyms:
CHEMBL4061801 | US10329302, Example 248 | US10793579, Example 248 | US11702424, Example 248
Type:
Small organic molecule
Emp. Form.:
C18H21N3O4
Mol. Mass.:
343.377
SMILES:
COc1cc2c(OC[C@H]3NC(=O)[C@H](C)[C@H]3C)nccc2cc1C(N)=O |r|
Structure:
Search PDB for entries with ligand similarity: