Reaction Details Report a problem with these data
Target
Serine protease HTRA1
Ligand
BDBM499269
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
IC50
1.90±n/a nM
Citation
 Hornsperger, B; Iacone, R; Maerki, HP; Mohr, P; Reutlinger, M Trifluoromethylpropanamide derivatives as HTRA1 inhibitors US Patent  US11014963 Publication Date 5/25/2021 
Target
Name:
Serine protease HTRA1
Synonyms:
HTRA | HTRA1 | HTRA1_HUMAN | PRSS11
Type:
Protein
Mol. Mass.:
51293.95
Organism:
Homo sapiens (Human)
Description:
Q92743
Residue:
480
Sequence:
MQIPRAALLPLLLLLLAAPASAQLSRAGRSAPLAAGCPDRCEPARCPPQPEHCEGGRARDACGCCEVCGAPEGAACGLQEGPCGEGLQCVVPFGVPASATVRRRAQAGLCVCASSEPVCGSDANTYANLCQLRAASRRSERLHRPPVIVLQRGACGQGQEDPNSLRHKYNFIADVVEKIAPAVVHIELFRKLPFSKREVPVASGSGFIVSEDGLIVTNAHVVTNKHRVKVELKNGATYEAKIKDVDEKADIALIKIDHQGKLPVLLLGRSSELRPGEFVVAIGSPFSLQNTVTTGIVSTTQRGGKELGLRNSDMDYIQTDAIINYGNSGGPLVNLDGEVIGINTLKVTAGISFAIPSDKIKKFLTESHDRQAKGKAITKKKYIGIRMMSLTSSKAKELKDRHRDFPDVISGAYIIEVIPDTPAEAGGLKENDVIISINGQSVVSANDVSDVIKRESTLNMVVRRGNEDIMITVIPEEIDP
  
Inhibitor
Name:
BDBM499269
Synonyms:
US11014963, Example 173
Type:
Small organic molecule
Emp. Form.:
C38H42F6N4O7
Mol. Mass.:
780.7531
SMILES:
COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1ccc(CNC(=O)OC(C)(C)C)cc1)NC(=O)c1cccc(c1)C(F)(F)F)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: