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Target
Complement factor D
Ligand
BDBM254487
Substrate
n/a
Meas. Tech.
Human Complement Factor D Assay
pH
7.5±n/a
Temperature
298.15±n/a K
IC50
20±n/a nM
Comments
extracted
Citation
 Altmann, E; Hommel, U; Lorthiois, EL; Maibaum, JK; Ostermann, N; Quancard, J; Randl, SA; Rogel, O; Vulpetti, A Pyrrolidine derivatives and their use as complement pathway modulators US Patent  US9468661 Publication Date 10/18/2016 
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:
BDBM254487
Synonyms:
US9468661, 65
Type:
Small organic molecule
Emp. Form.:
C28H32N6O4
Mol. Mass.:
516.5915
SMILES:
CC1CC(CNC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(C)=O)c3cc(OCc4ncccn4)ccc23)C1 |r,wU:8.7,wD:10.10,12.11,(6.72,8.16,;5.63,7.07,;5.63,5.53,;4.09,5.53,;3,4.44,;1.52,4.84,;.43,3.75,;.82,2.26,;-1.06,4.15,;-1.54,5.61,;-3.08,5.61,;-4.58,5.29,;-3.55,4.15,;-2.31,3.24,;-2.31,1.7,;-.97,.93,;-3.64,.93,;-3.64,-.61,;-4.89,-1.51,;-4.41,-2.98,;-5.18,-4.31,;-4.41,-5.64,;-6.72,-4.31,;-2.87,-2.98,;-1.84,-4.12,;-.33,-3.8,;.76,-4.89,;2.24,-4.49,;3.33,-5.58,;2.93,-7.07,;4.02,-8.16,;5.51,-7.76,;5.91,-6.27,;4.82,-5.18,;.14,-2.34,;-.89,-1.19,;-2.39,-1.51,;4.09,7.07,)|
Structure:
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