Reaction Details Report a problem with these data
Target
Complement factor D
Ligand
BDBM355672
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
1055±n/a nM
Citation
 Altmann, E; Hommel, U; Lorthiois, EL; Maibaum, JK; Ostermann, N; Quancard, J; Randl, SA; Rogel, O; Vulpetti, A Complement pathway modulators and uses thereof US Patent  US9815819 Publication Date 11/14/2017 
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:
BDBM355672
Synonyms:
(1R,3S,5R)-2-[2-(3-Acetyl- pyrazolo[3,4-c]pyridin-1-yl)- acetyl]-2-aza-bicyclo[3.1.0] hexane-3-carboxylic acid (4- phenyl-cyclohexyl)-amide (mixture of diastereomers) | US9815819, 37
Type:
Small organic molecule
Emp. Form.:
C28H31N5O3
Mol. Mass.:
485.5774
SMILES:
CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NC2CCC(CC2)c2ccccc2)c2cnccc12 |r,wU:14.16,wD:12.11,10.10,(-6.27,-5.63,;-7.04,-4.29,;-8.58,-4.29,;-6.27,-2.96,;-6.75,-1.5,;-5.5,-.59,;-5.5,.95,;-4.17,1.72,;-2.83,.95,;-4.17,3.26,;-5.41,4.16,;-6.48,5.63,;-4.94,5.63,;-3.4,5.63,;-2.92,4.16,;-1.43,3.77,;-1.03,2.28,;-.34,4.85,;1.14,4.46,;1.54,2.97,;3.03,2.57,;4.12,3.66,;3.72,5.15,;2.23,5.54,;5.61,3.26,;6,1.77,;7.49,1.37,;8.58,2.46,;8.18,3.95,;6.69,4.35,;-4.25,-1.5,;-2.75,-1.18,;-1.72,-2.32,;-2.19,-3.79,;-3.7,-4.11,;-4.73,-2.96,)|
Structure:
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