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Target
Interleukin-1 receptor-associated kinase 1
Ligand
BDBM187120
Substrate
n/a
Meas. Tech.
ChEMBL_2152933 (CHEMBL5037480)
Kd
61±n/a nM
Citation
 Lücking, U; Kosemund, D; Böhnke, N; Lienau, P; Siemeister, G; Denner, K; Bohlmann, R; Briem, H; Terebesi, I; Bömer, U; Schäfer, M; Ince, S; Mumberg, D; Scholz, A; Izumi, R; Hwang, S; von Nussbaum, F Changing for the Better: Discovery of the Highly Potent and Selective CDK9 Inhibitor VIP152 Suitable for Once Weekly Intravenous Dosing for the Treatment of Cancer. J Med Chem 64:11651-11674 (2021) [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:
BDBM187120
Synonyms:
US9670161, 1 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)-N-{4-[(methylsulfonyl)methyl]pyridin-2-yl}pyridin-2-amine
Type:
Small organic molecule
Emp. Form.:
C19H17F2N3O3S
Mol. Mass.:
405.418
SMILES:
COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)ccn2)ncc1F
Structure:
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