Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetNeutrophil elastase
LigandBDBM50098818
Substrate/Competitorn/a
Meas. Tech.ChEMBL_63965 (CHEMBL677434)
Ki 1.66±n/a nM
Citation Ohmoto, KYamamoto, TOkuma, MHoriuchi, TImanishi, HOdagaki, YKawabata, KSekioka, THirota, YMatsuoka, SNakai, HToda, MCheronis, JCSpruce, LWGyorkos, AWieczorek, M Development of orally active nonpeptidic inhibitors of human neutrophil elastase. J Med Chem44:1268-85 (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:
BDBM50098818
n/a
NameBDBM50098818
Synonyms:2-{3-Methyl-2-[(pyridine-3-carbonyl)-amino]-butyryl}-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid [1-(5-tert-butyl-[1,3,4]oxadiazole-2-carbonyl)-2-methyl-propyl]-amide | CHEMBL26571
TypeSmall organic molecule
Emp. Form.C32H40N6O5
Mol. Mass.588.6972
SMILESCC(C)[C@H](NC(=O)c1cccnc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nnc(o1)C(C)(C)C
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: