Reaction Details Report a problem with these data
Target
Complement factor D
Ligand
BDBM340245
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
<1000±n/a nM
Citation
 Wiles, JA; Phadke, AS; Wang, X; Chen, D; Hashimoto, A; Gadhachanda, VR; Pais, G; Wang, Q; Agarwal, A; Deshpande, M Compounds for treatment of complement mediated disorders US Patent  US9758537 Publication Date 9/12/2017 
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:
BDBM340245
Synonyms:
(2S,4R)-1-(2-(3-acetyl- 6-hydroxy-1H-indol-1- yl)acetyl)-4-fluoro-N-(3- (trifluoromethylthio) phenyl)pyrrolidine-2- carboxamide | US9758537, Compound 48
Type:
Small organic molecule
Emp. Form.:
C24H21F4N3O4S
Mol. Mass.:
523.5
SMILES:
CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(SC(F)(F)F)c2)c2cc(O)ccc12 |r|
Structure:
Search PDB for entries with ligand similarity: