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Target
Myeloid differentiation primary response protein MyD88
Ligand
BDBM50621831
Substrate
n/a
Meas. Tech.
ChEMBL_2330792
Kd
5.3±n/a nM
Citation
 Chen, P; Zhou, Y; Li, X; Yang, J; Zheng, Z; Zou, Y; Li, X; Liao, J; Dai, J; Xu, Y; Yin, L; Chen, G; Gu, J; Ouyang, Q; Cho, WJ; Tang, Q; Liang, G Design, Synthesis, and Bioevaluation of Novel MyD88 Inhibitor c17 against Acute Lung Injury Derived from the Virtual Screen. J Med Chem 66:6938-6958 (2023) [PubMed] 
Target
Name:
Myeloid differentiation primary response protein MyD88
Synonyms:
Myeloid differentiation primary response protein MyD88 | MYD88_HUMAN | MYD88
Type:
PROTEIN
Mol. Mass.:
33231.99
Organism:
Human
Description:
ChEMBL_102726
Residue:
296
Sequence:
MAAGGPGAGSAAPVSSTSSLPLAALNMRVRRRLSLFLNVRTQVAADWTALAEEMDFEYLEIRQLETQADPTGRLLDAWQGRPGASVGRLLELLTKLGRDDVLLELGPSIEEDCQKYILKQQQEEAEKPLQVAAVDSSVPRTAELAGITTLDDPLGHMPERFDAFICYCPSDIQFVQEMIRQLEQTNYRLKLCVSDRDVLPGTCVWSIASELIEKRCRRMVVVVSDDYLQSKECDFQTKFALSLSPGAHQKRLIPIKYKAMKKEFPSILRFITVCDYTNPCTKSWFWTRLAKALSLP
  
Inhibitor
Name:
BDBM50621831
Synonyms:
CHEMBL5400811
Type:
Small organic molecule
Emp. Form.:
C23H24N6O7S
Mol. Mass.:
528.55
SMILES:
COc1ccc(NS(=O)(=O)c2ccc(N3CCN(Cc4cccc(c4)[N+]([O-])=O)CC3)c(c2)[N+]([O-])=O)cn1
Structure:
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