Reaction Details Report a problem with these data
Target
Serine protease HTRA1
Ligand
BDBM496981
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
IC50
0.471±n/a nM
Citation
 Hornsperger, B; Maerki, HP; Mohr, P; Reutlinger, M; Rudolph, M Difluoroketamide derivatives as HTRA1 inhibitors US Patent  US11001555 Publication Date 5/11/2021 
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:
BDBM496981
Synonyms:
US11001555, Example 4
Type:
Small organic molecule
Emp. Form.:
C33H36F8N4O8S
Mol. Mass.:
800.713
SMILES:
COc1ccc(CS(=O)(=O)[C@@H]2C[C@H](N(C2)C(=O)[C@H](C)NC(=O)C(F)(F)c2cccc(F)c2)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F)cc1
Structure:
Search PDB for entries with ligand similarity: