Reaction Details Report a problem with these data
Target
Complement factor D
Ligand
BDBM511698
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 
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:
BDBM511698
Synonyms:
(1s,4s)-2-(2-(3-acetyl-5-(2- methylpyrimidin-5-yl)-1H-indazol-1- yl)acetyl)-N-(6-bromo-3-methylpyridin-2- azabicyclo[2.2.2]octane-3- carboxamide | US11084800, Cpd No. 3 | US11708351, Compound 3
Type:
Small organic molecule
Emp. Form.:
C30H30BrN7O3
Mol. Mass.:
616.508
SMILES:
CC(=O)c1nn(CC(=O)N2C3CCC(CC3)[C@H]2C(=O)Nc2nc(Br)ccc2C)c2ccc(cc12)-c1cnc(C)nc1 |r,wU:16.18,TLB:17:16:15.14:12.11,THB:7:9:15.14:12.11,(-2.77,-7.24,;-3.8,-6.1,;-5.3,-6.42,;-3.32,-4.64,;-4.23,-3.39,;-3.32,-2.14,;-3.8,-.68,;-2.77,.47,;-1.26,.15,;-3.24,1.93,;-4.57,2.53,;-4.57,4.53,;-3.71,5.68,;-3.71,3.96,;-5.34,3.24,;-6.15,2.03,;-2.44,3.24,;-.9,3.24,;-.13,1.91,;-.13,4.58,;1.41,4.58,;2.18,5.91,;3.72,5.91,;4.49,7.24,;4.49,4.58,;3.72,3.24,;2.18,3.24,;1.41,1.91,;-1.86,-2.62,;-.52,-1.85,;.81,-2.62,;.81,-4.16,;-.52,-4.93,;-1.86,-4.16,;2.15,-4.93,;2.15,-6.47,;3.48,-7.24,;4.81,-6.47,;6.15,-7.24,;4.81,-4.93,;3.48,-4.16,)|
Structure:
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