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Target
Tumor necrosis factor
Ligand
BDBM50525149
Substrate
n/a
Meas. Tech.
ChEMBL_1895792 (CHEMBL4397827)
Kd
93600±n/a nM
Citation
 Jiang, M; Peng, L; Yang, K; Wang, T; Yan, X; Jiang, T; Xu, J; Qi, J; Zhou, H; Qian, N; Zhou, Q; Chen, B; Xu, X; Deng, L; Yang, C Development of Small-Molecules Targeting Receptor Activator of Nuclear Factor-?B Ligand (RANKL)-Receptor Activator of Nuclear Factor-?B (RANK) Protein-Protein Interaction by Structure-Based Virtual Screening and Hit Optimization. J Med Chem 62:5370-5381 (2019) [PubMed]  Article 
Target
Name:
Tumor necrosis factor
Synonyms:
Cachectin | TNF | TNF-a | TNF-alpha | TNFA | TNFA_HUMAN | TNFSF2 | Tumor necrosis factor (TNF-alpha) | Tumor necrosis factor (TNFa) | Tumor necrosis factor alpha (TNFα) | Tumor necrosis factor ligand superfamily member 2 | Tumor necrosis factor, membrane form | Tumor necrosis factor, soluble form | tumor necrosis factor alpha
Type:
Enzyme
Mol. Mass.:
25645.11
Organism:
Homo sapiens (Human)
Description:
P01375
Residue:
233
Sequence:
MSTESMIRDVELAEEALPKKTGGPQGSRRCLFLSLFSFLIVAGATTLFCLLHFGVIGPQREEFPRDLSLISPLAQAVRSSSRTPSDKPVAHVVANPQAEGQLQWLNRRANALLANGVELRDNQLVVPSEGLYLIYSQVLFKGQGCPSTHVLLTHTISRIAVSYQTKVNLLSAIKSPCQRETPEGAEAKPWYEPIYLGGVFQLEKGDRLSAEINRPDYLDFAESGQVYFGIIAL
  
Inhibitor
Name:
BDBM50525149
Synonyms:
CHEMBL4457006
Type:
Small organic molecule
Emp. Form.:
C28H31N3O
Mol. Mass.:
425.5652
SMILES:
Cc1cccc(C)c1NC(=O)C(Cc1c[nH]c2ccccc12)NCCCc1ccccc1
Structure:
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