Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM50239500
Substrate
n/a
Meas. Tech.
ChEMBL_1666151 (CHEMBL4015947)
IC50
6.5±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:
BDBM50239500
Synonyms:
CHEMBL4066705 | US10329302, Example 337 | US10793579, Example 337 | US11702424, Example 337
Type:
Small organic molecule
Emp. Form.:
C18H20FN3O4
Mol. Mass.:
361.3675
SMILES:
CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@@H]1F |r|
Structure:
Search PDB for entries with ligand similarity: