Reaction Details Report a problem with these data
Target
Serine protease HTRA2, mitochondrial
Ligand
BDBM50614605
Substrate
n/a
Meas. Tech.
ChEMBL_2297933
IC50
8300±n/a nM
Citation
 Song, D; Lee, JY; Park, EC; Choi, NE; Nam, HY; Seo, J; Lee, J Structure-activity relationship analysis of activity-based probes targeting HTRA family of serine proteases. Bioorg Med Chem Lett 87:0 (2023) [PubMed] 
Target
Name:
Serine protease HTRA2, mitochondrial
Synonyms:
HTRA2 | HTRA2_HUMAN | High temperature requirement protein A2 | OMI | Omi stress-regulated endoprotease | PRSS25 | Serine protease 25 | Serine protease HTRA2 (aa 138-458), mitochondrial | Serine proteinase OMI
Type:
Protein
Mol. Mass.:
48853.34
Organism:
Human
Description:
O43464[138-458]
Residue:
458
Sequence:
MAAPRAGRGAGWSLRAWRALGGIRWGRRPRLTPDLRALLTSGTSDPRARVTYGTPSLWARLSVGVTEPRACLTSGTPGPRAQLTAVTPDTRTREASENSGTRSRAWLAVALGAGGAVLLLLWGGGRGPPAVLAAVPSPPPASPRSQYNFIADVVEKTAPAVVYIEILDRHPFLGREVPISNGSGFVVAADGLIVTNAHVVADRRRVRVRLLSGDTYEAVVTAVDPVADIATLRIQTKEPLPTLPLGRSADVRQGEFVVAMGSPFALQNTITSGIVSSAQRPARDLGLPQTNVEYIQTDAAIDFGNSGGPLVNLDGEVIGVNTMKVTAGISFAIPSDRLREFLHRGEKKNSSSGISGSQRRYIGVMMLTLSPSILAELQLREPSFPDVQHGVLIHKVILGSPAHRAGLRPGDVILAIGEQMVQNAEDVYEAVRTQSQLAVQIRRGRETLTLYVTPEVTE
  
Inhibitor
Name:
BDBM50614605
Synonyms:
CHEMBL5278663
Type:
Small organic molecule
Emp. Form.:
C64H71N6O13P
Mol. Mass.:
1163.2547
SMILES:
CC(C)[C@H](NC(=O)[C@H](CC1CC1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)c1ccc(C(O)=O)c(c1)-c1c2ccc(O)cc2oc2cc(=O)ccc12)P(=O)(Oc1ccccc1)Oc1ccccc1 |r,wU:3.2,15.16,wD:7.7,24.25,(12.67,2.28,;14.01,1.51,;15.34,2.28,;14.01,-.03,;12.67,-.8,;11.34,-.03,;11.34,1.51,;10,-.8,;10,-2.34,;11.34,-3.11,;12.11,-4.44,;12.88,-3.11,;8.67,-.03,;7.34,-.8,;7.34,-2.34,;6,-.03,;6,1.51,;7.34,2.28,;7.34,3.82,;8.67,4.59,;8.67,6.13,;4.67,-.8,;3.34,-.03,;3.34,1.51,;2,-.8,;2,-2.34,;3.34,-3.11,;4.67,-2.34,;6,-3.11,;6,-4.65,;4.67,-5.42,;3.34,-4.65,;.67,-.03,;-.66,-.8,;-.66,-2.34,;-2,-.03,;-3.33,-.8,;-4.67,-.03,;-6,-.8,;-7.33,-.03,;-8.67,-.8,;-10,-.03,;-10,1.51,;-11.33,-.8,;-11.33,-2.34,;-12.66,-3.11,;-14,-2.34,;-15.33,-3.11,;-15.33,-4.65,;-16.1,-1.78,;-14,-.8,;-12.66,-.03,;-15.33,-.03,;-16.67,-.8,;-16.67,-2.34,;-17.99,-3.11,;-19.34,-2.35,;-20.67,-3.12,;-19.34,-.8,;-18,-.03,;-18,1.51,;-16.66,2.28,;-16.66,3.82,;-15.33,4.59,;-15.33,6.13,;-14,3.82,;-13.99,2.28,;-15.33,1.51,;15.34,-.8,;14.57,-2.13,;16.67,-.03,;18.01,-.8,;19.34,-.03,;20.67,-.8,;20.67,-2.34,;19.34,-3.11,;18.01,-2.34,;16.11,-2.13,;15.34,-3.47,;16.1,-4.8,;15.33,-6.13,;13.79,-6.13,;13.02,-4.8,;13.79,-3.46,)|
Structure:
Search PDB for entries with ligand similarity: