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Target
Tumor necrosis factor
Ligand
BDBM50552381
Substrate
n/a
Meas. Tech.
ChEMBL_2034104 (CHEMBL4688262)
IC50
15±n/a nM
Citation
 Xiao, HY; Li, N; Duan, JJ; Jiang, B; Lu, Z; Ngu, K; Tino, J; Kopcho, LM; Lu, H; Chen, J; Tebben, AJ; Sheriff, S; Chang, CY; Yanchunas, J; Calambur, D; Gao, M; Shuster, DJ; Susulic, V; Xie, JH; Guarino, VR; Wu, DR; Gregor, KR; Goldstine, CB; Hynes, J; Macor, JE; Salter-Cid, L; Burke, JR; Shaw, PJ; Dhar, TGM Biologic-like In Vivo Efficacy with Small Molecule Inhibitors of TNF? Identified Using Scaffold Hopping and Structure-Based Drug Design Approaches. J Med Chem 63:15050-15071 (2020) [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:
BDBM50552381
Synonyms:
CHEMBL4787433
Type:
Small organic molecule
Emp. Form.:
C23H19ClFN3O2S
Mol. Mass.:
455.932
SMILES:
C[C@@H](Nc1c(Cl)cnc2ccc(cc12)-c1ccc(nc1)S(C)(=O)=O)c1ccccc1F |r|
Structure:
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