Reaction Details Report a problem with these data
Target
Interleukin-1 receptor-associated kinase 1
Ligand
BDBM50499197
Substrate
n/a
Meas. Tech.
ChEMBL_1538244 (CHEMBL3737183)
Ki
12±n/a nM
Citation
 Wang, Z; Sun, D; Johnstone, S; Cao, Z; Gao, X; Jaen, JC; Liu, J; Lively, S; Miao, S; Sudom, A; Tomooka, C; Walker, NP; Wright, M; Yan, X; Ye, Q; Powers, JP Discovery of potent, selective, and orally bioavailable inhibitors of interleukin-1 receptor-associate kinase-4. Bioorg Med Chem Lett 25:5546-50 (2015) [PubMed]  Article 
Target
Name:
Interleukin-1 receptor-associated kinase 1
Synonyms:
IRAK | IRAK-1 | IRAK1 | IRAK1_HUMAN | Interleukin-1 receptor-associated kinase 1 (IRAK-1)
Type:
Enzyme
Mol. Mass.:
76536.81
Organism:
Homo sapiens (Human)
Description:
P51617
Residue:
712
Sequence:
MAGGPGPGEPAAPGAQHFLYEVPPWVMCRFYKVMDALEPADWCQFAALIVRDQTELRLCERSGQRTASVLWPWINRNARVADLVHILTHLQLLRARDIITAWHPPAPLPSPGTTAPRPSSIPAPAEAEAWSPRKLPSSASTFLSPAFPGSQTHSGPELGLVPSPASLWPPPPSPAPSSTKPGPESSVSLLQGARPFPFCWPLCEISRGTHNFSEELKIGEGGFGCVYRAVMRNTVYAVKRLKENADLEWTAVKQSFLTEVEQLSRFRHPNIVDFAGYCAQNGFYCLVYGFLPNGSLEDRLHCQTQACPPLSWPQRLDILLGTARAIQFLHQDSPSLIHGDIKSSNVLLDERLTPKLGDFGLARFSRFAGSSPSQSSMVARTQTVRGTLAYLPEEYIKTGRLAVDTDTFSFGVVVLETLAGQRAVKTHGARTKYLKDLVEEEAEEAGVALRSTQSTLQAGLAADAWAAPIAMQIYKKHLDPRPGPCPPELGLGLGQLACCCLHRRAKRRPPMTQVYERLEKLQAVVAGVPGHSEAASCIPPSPQENSYVSSTGRAHSGAAPWQPLAAPSGASAQAAEQLQRGPNQPVESDESLGGLSAALRSWHLTPSCPLDPAPLREAGCPQGDTAGESSWGSGPGSRPTAVEGLALGSSASSSSEPPQIIINPARQKMVQKLALYEDGALDSLQLLSSSSLPGLGLEQDRQGPEESDEFQS
  
Inhibitor
Name:
BDBM50499197
Synonyms:
CHEMBL3736465
Type:
Small organic molecule
Emp. Form.:
C29H29F3N4O2
Mol. Mass.:
522.5614
SMILES:
OCCc1ccc(cc1)-n1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2cc(CN3CCCCC3)ccc12
Structure:
Search PDB for entries with ligand similarity: