Reaction Details Report a problem with these data
Target
Complement factor D
Ligand
BDBM386534
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
<1000±n/a nM
Citation
 Wiles, JA; Phadke, AS; Deshpande, M; Agarwal, A; Chen, D; Gadhachanda, VR; Hashimoto, A; Pais, G; Wang, Q; Wang, X Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders US Patent  US10822352 Publication Date 11/3/2020 
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:
BDBM386534
Synonyms:
(2S,4R)-1-(2-(3- acetyl-5-(2- methylpyrimidin- 5-yl)-1H-indazol- 1-yl)acetyl)-4- fluoro-N-(2- fluoro-3- methylbut-2-en-1- yl)pyrrolidine-2- carboxamide | US10287301, Compound 474 | US10822352, Comp No. 474
Type:
Small organic molecule
Emp. Form.:
C26H28F2N6O3
Mol. Mass.:
510.5357
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](-[#6])=O)c2cc(ccc12)-c1cnc(-[#6])nc1 |r|
Structure:
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