Reaction Details Report a problem with these data
Target
Neutrophil elastase
Ligand
BDBM50084637
Substrate
n/a
Meas. Tech.
ChEMBL_2156968 (CHEMBL5041628)
IC50
704±n/a nM
Citation
 Cui, Y; Zhang, M; Xu, H; Zhang, T; Zhang, S; Zhao, X; Jiang, P; Li, J; Ye, B; Sun, Y; Wang, M; Deng, Y; Meng, Q; Liu, Y; Fu, Q; Lin, J; Wang, L; Chen, Y Elastase Inhibitor Cyclotheonellazole A: Total Synthesis and In Vivo Biological Evaluation for Acute Lung Injury. J Med Chem 65:2971-2987 (2022) [PubMed]  Article 
Target
Name:
Neutrophil elastase
Synonyms:
Bone marrow serine protease | Chymotrypsin | Coagulation factor X | ELA2 | ELANE | ELNE_HUMAN | Elastase | Elastase-2 | HLE | Human leukocyte elastase | Leukocyte elastase | Leukocyte elastase (HLE) | Medullasin | Neutrophil elastase | Neutrophil elastase (HNE) | Neutrophil elastase (NE) | PMN elastase | Thrombin | Trypsin
Type:
Enzyme
Mol. Mass.:
28532.38
Organism:
Homo sapiens (Human)
Description:
P08246
Residue:
267
Sequence:
MTLGRRLACLFLACVLPALLLGGTALASEIVGGRRARPHAWPFMVSLQLRGGHFCGATLIAPNFVMSAAHCVANVNVRAVRVVLGAHNLSRREPTRQVFAVQRIFENGYDPVNLLNDIVILQLNGSATINANVQVAQLPAQGRRLGNGVQCLAMGWGLLGRNRGIASVLQELNVTVVTSLCRRSNVCTLVRGRQAGVCFGDSGSPLVCNGLIHGIASFVRGGCASGLYPDAFAPVAQFVNWIDSIIQRSEDNPCPHPRDPDPASRTH
  
Inhibitor
Name:
BDBM50084637
Synonyms:
2,2-Dimethyl-propionic acid 4-[2-(carboxymethyl-carbamoyl)-phenylsulfamoyl]-phenyl ester | 2,2-Dimethyl-propionic acid 4-[2-(carboxymethyl-carbamoyl)-phenylsulfamoyl]-phenyl ester(ONO-5046) | CHEMBL76688 | ONO-5046 | Sivelestat
Type:
Small organic molecule
Emp. Form.:
C20H22N2O7S
Mol. Mass.:
434.463
SMILES:
CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)NCC(O)=O
Structure:
Search PDB for entries with ligand similarity: