Reaction Details Report a problem with these data
Target
Complement factor D
Ligand
BDBM360761
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:
BDBM360761
Synonyms:
(2S,4R)-1-(2-(3-acetyl-6-(3- (ethylsulfonamido)-3- oxoprop-1-ynyl)-1H-indol- 1-yl)acetyl)-N-(3-chloro-2- fluorobenzyl)-4- fluoropyrrolidine-2- carboxamide | US9828396, Compound 10
Type:
Small organic molecule
Emp. Form.:
C29H27ClF2N4O6S
Mol. Mass.:
633.063
SMILES:
CCS(=O)(=O)NC(=O)C#Cc1ccc2c(cn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1)C(C)=O |r|
Structure:
Search PDB for entries with ligand similarity: