Reaction Details Report a problem with these data
Target
Serine protease HTRA1
Ligand
BDBM396343
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
IC50
210±n/a nM
Citation
 Hornsperger, B; Iacone, R; Kuhn, B; Maerki, HP; Mohr, P; Reutlinger, M Trifluoromethylpropanamide derivatives US Patent  US9980929 Publication Date 5/29/2018 
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:
BDBM396343
Synonyms:
US9980929, Example 41
Type:
Small organic molecule
Emp. Form.:
C26H33F3N2O3
Mol. Mass.:
478.547
SMILES:
CC(C)[C@H](NC(=O)[C@@H](NC(=O)CC1C2C[C@@H]3C[C@@H](C[C@H]1C3)C2)c1ccccc1)C(=O)C(F)(F)F |r,wU:7.7,15.14,wD:3.3,17.16,19.20,THB:12:19:16:14.13.21,12:13:16:19.18.20,(5.81,-3.02,;4.48,-2.25,;3.14,-3.02,;4.48,-.71,;3.14,.06,;1.81,-.71,;1.81,-2.25,;.47,.06,;-.86,-.71,;-.86,-2.25,;.47,-3.02,;-2.19,-3.02,;-3.53,-2.25,;-3.92,-.77,;-5.41,-.37,;-6.5,-1.46,;-8.43,-2.22,;-6.99,-2.75,;-6.61,-4.07,;-4.62,-3.34,;-6.1,-2.95,;-5.28,-1.06,;.47,1.6,;1.81,2.37,;1.81,3.91,;.47,4.68,;-.86,3.91,;-.86,2.37,;5.81,.06,;5.81,1.6,;7.14,-.71,;8.48,.06,;7.14,-2.25,;8.48,-1.48,)|
Structure:
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