Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetNeutrophil elastase
LigandBDBM50095526
Substrate/Competitorn/a
Meas. Tech.ChEMBL_88197 (CHEMBL699807)
Ki 0.49±n/a nM
Citation Ohmoto, KYamamoto, THoriuchi, TImanishi, HOdagaki, YKawabata, KSekioka, THirota, YMatsuoka, SNakai, HToda, MCheronis, JCSpruce, LWGyorkos, AWieczorek, M Design and synthesis of new orally active nonpeptidic inhibitors of human neutrophil elastase. J Med Chem43:4927-9 (2001) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Neutrophil elastase
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:
MTLGRRLACLFLACVLPALLLGGTALASEIVGGRRARPHAWPFMVSLQLRGGHFCGATLI
APNFVMSAAHCVANVNVRAVRVVLGAHNLSRREPTRQVFAVQRIFENGYDPVNLLNDIVI
LQLNGSATINANVQVAQLPAQGRRLGNGVQCLAMGWGLLGRNRGIASVLQELNVTVVTSL
CRRSNVCTLVRGRQAGVCFGDSGSPLVCNGLIHGIASFVRGGCASGLYPDAFAPVAQFVN
WIDSIIQRSEDNPCPHPRDPDPASRTH
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50095526
n/a
NameBDBM50095526
Synonyms:CHEMBL24058 | [(S)-2-methyl-1-((S)-2-{(S)-2-methyl-1-[5-(3-methyl-benzyl)-[1,2,4]oxadiazole-3-carbonyl]-propylcarbamoyl}-pyrrolidine-1-carbonyl)-propyl]-carbamic acid benzyl ester | [2-Methyl-1-(2-{2-methyl-1-[5-(3-methyl-benzyl)-[1,2,4]oxadiazole-3-carbonyl]-propylcarbamoyl}-pyrrolidine-1-carbonyl)-propyl]-carbamic acid benzyl ester
TypeSmall organic molecule
Emp. Form.C33H41N5O6
Mol. Mass.603.7085
SMILESCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1noc(Cc2cccc(C)c2)n1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: