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Target
Tumor necrosis factor
Ligand
BDBM50566088
Substrate
n/a
Meas. Tech.
ChEMBL_2094423 (CHEMBL4775686)
Kd
6.8±n/a nM
Citation
 Dietrich, JD; Longenecker, KL; Wilson, NS; Goess, C; Panchal, SC; Swann, SL; Petros, AM; Hobson, AD; Ihle, D; Song, D; Richardson, P; Comess, KM; Cox, PB; Dombrowski, A; Sarris, K; Donnelly-Roberts, DL; Duignan, DB; Gomtsyan, A; Jung, P; Krueger, AC; Mathieu, S; McClure, A; Stoll, VS; Wetter, J; Mankovich, JA; Hajduk, PJ; Vasudevan, A; Stoffel, RH; Sun, C Development of Orally Efficacious Allosteric Inhibitors of TNF? via Fragment-Based Drug Design. J Med Chem 64:417-429 (2021) [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:
BDBM50566088
Synonyms:
CHEMBL4793924
Type:
Small organic molecule
Emp. Form.:
C27H26N8O2
Mol. Mass.:
494.5477
SMILES:
[H][C@]12CNC(=O)N1CCN(C2)c1ncc(cn1)-c1ccc2C(=O)C(C)(C)N(Cc3cccnc3C#N)c2c1 |r|
Structure:
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