Reaction Details Report a problem with these data
Target
Complement factor D
Ligand
BDBM511707
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:
BDBM511707
Synonyms:
(3S)-5-(3-azabicyclo[3.1.1]heptan-3- ylmethyl)-2-(2-(3-acetyl-5-(2- methylpyrimidin-5-yl)-1H-indazol-1- yl)acetyl)-N-(6-bromo-3-methylpyridin-2-yl)- 2-azabicyclo[3.1.0]hexane-3-carboxamide | US11084800, Cpd No. 12 | US11708351, Compound 12
Type:
Small organic molecule
Emp. Form.:
C35H37BrN8O3
Mol. Mass.:
697.624
SMILES:
CC(=O)c1nn(CC(=O)N2C3CC3(CN3CC4CC(C4)C3)C[C@H]2C(=O)Nc2nc(Br)ccc2C)c2ccc(cc12)-c1cnc(C)nc1 |r,wU:22.26,(-2.82,-8.25,;-3.85,-7.1,;-5.36,-7.42,;-3.37,-5.64,;-4.28,-4.39,;-3.37,-3.15,;-3.85,-1.68,;-2.82,-.54,;-1.31,-.86,;-3.29,.93,;-4.76,1.4,;-6.09,2.17,;-4.76,2.94,;-5.39,4.35,;-4.48,5.6,;-2.95,5.43,;-2.04,6.68,;-2.67,8.09,;-4.2,8.25,;-3.71,6.71,;-5.11,7,;-3.29,3.42,;-2.39,2.17,;-.85,2.17,;-.08,.84,;-.08,3.51,;1.46,3.51,;2.23,4.84,;3.77,4.84,;4.54,6.17,;4.54,3.51,;3.77,2.17,;2.23,2.17,;1.46,.84,;-1.91,-3.62,;-.58,-2.85,;.76,-3.62,;.76,-5.16,;-.58,-5.93,;-1.91,-5.16,;2.09,-5.93,;2.09,-7.47,;3.43,-8.24,;4.76,-7.47,;6.09,-8.24,;4.76,-5.93,;3.43,-5.16,)|