Reaction Details Report a problem with these data
Target
Complement factor D
Ligand
BDBM360796
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
<1000±n/a nM
Citation
 Wiles, JA; Pais, G; Hashimoto, A; Gadhachanda, VR; Wang, Q; Chen, D; Wang, X; Agarwal, A; Deshpande, M; Phadke, AS Alkyne compounds for treatment of complement mediated disorders US Patent  US9828396 Publication Date 11/28/2017 
Target
Name:
Complement factor D
Synonyms:
Adipsin | C3 convertase activator | CFAD_HUMAN | CFD | DF | PFD | Properdin factor D
Type:
Protein
Mol. Mass.:
27039.19
Organism:
Homo sapiens (Human)
Description:
P00746
Residue:
253
Sequence:
MHSWERLAVLVLLGAAACAAPPRGRILGGREAEAHARPYMASVQLNGAHLCGGVLVAEQWVLSAAHCLEDAADGKVQVLLGAHSLSQPEPSKRLYDVLRAVPHPDSQPDTIDHDLLLLQLSEKATLGPAVRPLPWQRVDRDVAPGTLCDVAGWGIVNHAGRRPDSLQHVLLPVLDRATCNRRTHHDGAITERLMCAESNRRDSCKGDSGGPLVCGGVLEGVVTSGSRVCGNRKKPGIYTRVASYAAWIDSVLA
  
Inhibitor
Name:
BDBM360796
Synonyms:
1-(2-((2S,4R)-4-fluoro-2-(2- fluoro-3-methylbut-2- enylcarbamoyl)pyrrolidin-1- yl)-2-oxoethyl)-5- (pyrimidin-2-ylethynyl)-1H- indazole-3-carboxamide | US9828396, Compound 45
Type:
Small organic molecule
Emp. Form.:
C26H25F2N7O3
Mol. Mass.:
521.5186
SMILES:
[#6]\[#6](-[#6])=[#6](\F)-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6@@H](F)-[#6]-[#7]-1-[#6](=O)-[#6]-n1nc(-[#6](-[#7])=O)c2cc(ccc12)C#Cc1ncccn1 |r|
Structure:
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