Reaction Details Report a problem with these data
Target
Complement factor D
Ligand
BDBM474746
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
<1000±n/a nM
Citation
 Kotian, PL; Babu, YS; Zhang, W; Vogeti, L; Wu, M; Chintareddy, VR; Raman, K Benzopyrazole compounds and analogues thereof US Patent  US10849883 Publication Date 12/1/2020 
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:
BDBM474746
Synonyms:
US10849883, Compound 172b | US11559515, Compound 172b
Type:
Small organic molecule
Emp. Form.:
C24H25ClFN5O4
Mol. Mass.:
501.938
SMILES:
NC(=O)c1nn(CC(=O)N(C[C@H]2C[C@H](O)C2)CC(=O)NCc2cccc(Cl)c2F)c2ccccc12 |r,wU:13.13,wD:11.10,(23.65,2.09,;24.56,.85,;26.09,1.01,;23.93,-.56,;22.43,-.88,;22.26,-2.41,;20.93,-3.18,;19.6,-2.41,;19.6,-.87,;18.26,-3.18,;18.26,-4.72,;19.6,-5.49,;20,-6.98,;21.48,-6.58,;22.82,-7.35,;21.08,-5.09,;16.93,-2.41,;15.6,-3.18,;15.6,-4.72,;14.26,-2.41,;12.93,-3.18,;11.59,-2.41,;10.26,-3.18,;8.93,-2.41,;8.93,-.87,;10.26,-.1,;10.26,1.44,;11.59,-.87,;12.93,-.1,;23.67,-3.04,;24.15,-4.5,;25.65,-4.82,;26.68,-3.68,;26.21,-2.22,;24.7,-1.9,)|
Structure:
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