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Target
Interleukin-1 receptor-associated kinase 1 [194-712]
Ligand
BDBM347995
Substrate
n/a
Meas. Tech.
Enzymatic Assay
IC50
3000±n/a nM
Citation
 Jorand-Lebrun, C; Jones, R; Won, AC; Nguyen, N; Johnson, TL; Deselm, LC; Panda, K Heteroaryl compounds as IRAK inhibitors and uses thereof US Patent  US9790221 Publication Date 10/17/2017 
Target
Name:
Interleukin-1 receptor-associated kinase 1 [194-712]
Synonyms:
IRAK | IRAK1 | IRAK1_HUMAN | Interleukin-1 receptor-associated kinase 1 (IRAK1)
Type:
Enzyme Catalytic Domain
Mol. Mass.:
55943.99
Organism:
Homo sapiens (Human)
Description:
aa 194-712
Residue:
519
Sequence:
RPFPFCWPLCEISRGTHNFSEELKIGEGGFGCVYRAVMRNTVYAVKRLKENADLEWTAVKQSFLTEVEQLSRFRHPNIVDFAGYCAQNGFYCLVYGFLPNGSLEDRLHCQTQACPPLSWPQRLDILLGTARAIQFLHQDSPSLIHGDIKSSNVLLDERLTPKLGDFGLARFSRFAGSSPSQSSMVARTQTVRGTLAYLPEEYIKTGRLAVDTDTFSFGVVVLETLAGQRAVKTHGARTKYLKDLVEEEAEEAGVALRSTQSTLQAGLAADAWAAPIAMQIYKKHLDPRPGPCPPELGLGLGQLACCCLHRRAKRRPPMTQVYERLEKLQAVVAGVPGHSEAASCIPPSPQENSYVSSTGRAHSGAAPWQPLAAPSGASAQAAEQLQRGPNQPVESDESLGGLSAALRSWHLTPSCPLDPAPLREAGCPQGDTAGESSWGSGPGSRPTAVEGLALGSSASSSSEPPQIIINPARQKMVQKLALYEDGALDSLQLLSSSSLPGLGLEQDRQGPEESDEFQS
  
Inhibitor
Name:
BDBM347995
Synonyms:
US9790221, Compound 201
Type:
Small organic molecule
Emp. Form.:
C26H32N8O2S
Mol. Mass.:
520.65
SMILES:
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CCC(CNS(C)(=O)=O)CC2)n1 |(1.21,5.83,;-.28,6.23,;-1.19,4.98,;-2.65,5.46,;-2.65,7,;-1.18,7.48,;-3.99,4.7,;-5.32,5.47,;-6.65,4.7,;-6.66,3.16,;-5.33,2.39,;-3.99,3.16,;-5.33,.85,;-6.66,.08,;-6.67,-1.46,;-5.34,-2.23,;-5.34,-3.77,;-6.59,-4.67,;-6.12,-6.14,;-4.58,-6.14,;-3.81,-7.48,;-4.1,-4.68,;-4,-1.46,;-2.67,-2.24,;-1.33,-1.47,;-0,-2.25,;1.33,-1.47,;1.33,.07,;2.67,.84,;4,.07,;5.34,.84,;6.67,.06,;4.57,2.17,;6.11,2.17,;-0,.85,;-1.33,.07,;-4,.08,)|
Structure:
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