Reaction Details Report a problem with these data
Target
Neutrophil elastase
Ligand
BDBM50031197
Substrate
n/a
Meas. Tech.
ChEMBL_63969 (CHEMBL677437)
Ki
0.35±n/a nM
Citation
Edwards, PD; Zottola, MA; Davis, M; Williams, J; Tuthill, PA Peptidyl alpha-ketoheterocyclic inhibitors of human neutrophil elastase. 3. In vitro and in vivo potency of a series of peptidyl alpha-ketobenzoxazoles. J Med Chem 38:3972-82 (1995) [PubMed] Article
More Info.:
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:
BDBM50031197
Synonyms:
2-[(S)-3-Methyl-2-({(S)-1-[(S)-3-methyl-2-(4-sulfamoyl-benzoylamino)-butyryl]-pyrrolidine-2-carbonyl}-amino)-butyryl]-benzooxazole-5-carboxylic acid methyl ester | CHEMBL337931
Type:
Small organic molecule
Emp. Form.:
C31H37N5O9S
Mol. Mass.:
655.719
SMILES:
COC(=O)c1ccc2oc(nc2c1)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(cc1)S(N)(=O)=O)C(C)C)C(C)C