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Target
Tumor necrosis factor
Ligand
BDBM50545753
Substrate
n/a
Meas. Tech.
ChEMBL_1996517 (CHEMBL4630412)
Kd
19630±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:
BDBM50545753
Synonyms:
CHEMBL4649816
Type:
Small organic molecule
Emp. Form.:
C16H16N6O
Mol. Mass.:
308.3378
SMILES:
O=C1C[C@@H](CN1Cc1ccccc1)Nc1ncnc2[nH]cnc12 |r|
Structure:
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