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Target
Tumor necrosis factor
Ligand
BDBM50373071
Substrate
n/a
Meas. Tech.
ChEMBL_1996514 (CHEMBL4630409)
Kd
91700±n/a nM
Citation
 Sun, W; Wu, Y; Zheng, M; Yang, Y; Liu, Y; Wu, C; Zhou, Y; Zhang, Y; Chen, L; Li, H Discovery of an Orally Active Small-Molecule Tumor Necrosis Factor-? Inhibitor. J Med Chem 63:8146-8156 (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:
BDBM50373071
Synonyms:
CHEMBL255489
Type:
Small organic molecule
Emp. Form.:
C32H32F3N3O2
Mol. Mass.:
547.6106
SMILES:
CN(CCN(C)Cc1coc2cc(C)c(C)cc2c1=O)Cc1cn(-c2cccc(c2)C(F)(F)F)c2ccccc12
Structure:
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