BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetTumor necrosis factor
LigandBDBM511477
Substrate/Competitorn/a
Meas. Tech.In Vitro Kinase Activity Assay
IC50 71.0±n/a nM
Citation deLong, MACarlson, EKopczynski, CSturdivant, JMLichorowic, C Isoquinoline-steroid conjugates and uses thereof US Patent US11691950 Publication Date 7/4/2023
More Info.:Get all data from this article,  Assay Method
 
Tumor necrosis factor
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:
MSTESMIRDVELAEEALPKKTGGPQGSRRCLFLSLFSFLIVAGATTLFCLLHFGVIGPQR
EEFPRDLSLISPLAQAVRSSSRTPSDKPVAHVVANPQAEGQLQWLNRRANALLANGVELR
DNQLVVPSEGLYLIYSQVLFKGQGCPSTHVLLTHTISRIAVSYQTKVNLLSAIKSPCQRE
TPEGAEAKPWYEPIYLGGVFQLEKGDRLSAEINRPDYLDFAESGQVYFGIIAL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM511477
n/a
NameBDBM511477
Synonyms:US11059789, Example 29 | US11691950, Example 29
TypeSmall organic molecule
Emp. Form.C52H60FN3O12
Mol. Mass.938.0441
SMILESCC(C)(C)OC(=O)NC[C@@H](C(=O)Nc1ccc2cnccc2c1)c1ccc(COC(=O)CCC(=O)OCC(=O)[C@@]23OC(C)(C)O[C@@H]2C[C@H]2[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]32C)cc1 |r,c:58,t:54|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: