Reaction Details Report a problem with these data
Target
Complement factor D
Ligand
BDBM511739
Substrate
n/a
Meas. Tech.
Factor D 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; Barrish, JC; Greenlee, W; Eastman, KJ Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders US Patent US11084800 Publication Date 8/10/2021
More Info.:
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:
BDBM511739
Synonyms:
BDBM609843 | US11084800, Cpd No. 45 | methyl ((2S)-1-((((3S)-2-(2-(3-acetyl-5-(2- methylpyrimidin-5-yl)-1H-indazol-1- yl)acetyl)-3-((6-bromopyridin-2- yl)carbamoyl)-2-azabicyclo[3.1.0]hexan-5- yl)methyl)amino)-3-methyl-1-oxobutan-2- yl)carbamate
Type:
Small organic molecule
Emp. Form.:
C35H38BrN9O6
Mol. Mass.:
760.637
SMILES:
COC(=O)N[C@@H](C(C)C)C(=O)NCC12CC1N([C@@H](C2)C(=O)Nc1cccc(Br)n1)C(=O)Cn1nc(C(C)=O)c2cc(ccc12)-c1cnc(C)nc1 |r|