Reaction Details Report a problem with these data
Target
Neutrophil elastase
Ligand
BDBM50080264
Substrate
n/a
Meas. Tech.
ChEBML_63654
IC50
180±n/a nM
Citation
 Nakanishi, I; Kinoshita, T; Tada, T; Fujita, T; Hatanaka, H; Sato, A Molecular structure of FR901277, a novel inhibitor of human leukocyte elastase, and its binding mode simulation. Bioorg Med Chem Lett 9:2397-402 (1999) [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:
BDBM50080264
Synonyms:
1N-[21-benzyl-29-[(Z)-ethylidene]-13,14,23-trihydroxy-35-isopropyl-19,32-dimethyl-3,9,20,28,31,34,37,38-octaoxo-33-oxa-2,8,10,19,22,27,30,36-octaazatetracyclo[16.13.6.122,26.011,16]octatriaconta-11(16),12,14-trien-4-yl]-2-methylpropanamide | CHEMBL437538 | FR-901277
Type:
Small organic molecule
Emp. Form.:
C47H63N9O13
Mol. Mass.:
962.0556
SMILES:
C\C=C1/NC(=O)[C@H]2NC(=O)[C@H](CCCNC(=O)Nc3cc(O)c(O)cc3C[C@H](N(C)C(=O)[C@H](Cc3ccccc3)N3[C@H](O)CC[C@H](NC1=O)C3=O)C(=O)N[C@@H](C(C)C)C(=O)O[C@H]2C)NC(=O)C(C)C
Structure:
Search PDB for entries with ligand similarity: