Reaction Details Report a problem with these data
Target
Chymotrypsinogen A
Ligand
BDBM50089098
Substrate
n/a
Meas. Tech.
ChEBML_49942
Ki
240000±n/a nM
Citation
 Wright, PA; Rostom, AA; Robinson, CV; Schofield, CJ Mass spectrometry reveals elastase inhibitors from the reactive centre loop of alpha1-antitrypsin. Bioorg Med Chem Lett 10:1219-21 (2000) [PubMed]  Article 
Target
Name:
Chymotrypsinogen A
Synonyms:
Alpha-chymotrypsin | CTRA_BOVIN | Chymotrypsin A | Chymotrypsin A chain A | Chymotrypsin A chain B | Chymotrypsin A chain C | Chymotrypsinogen A | alpha-Chymotrypsin (α-Chymotrypsin)
Type:
Serine protease
Mol. Mass.:
25670.88
Organism:
Bovine
Description:
n/a
Residue:
245
Sequence:
CGVPAIQPVLSGLSRIVNGEEAVPGSWPWQVSLQDKTGFHFCGGSLINENWVVTAAHCGVTTSDVVVAGEFDQGSSSEKIQKLKIAKVFKNSKYNSLTINNDITLLKLSTAASFSQTVSAVCLPSASDDFAAGTTCVTTGWGLTRYTNANTPDRLQQASLPLLSNTNCKKYWGTKIKDAMICAGASGVSSCMGDSGGPLVCKKNGAWTLVGIVSWGSSTCSTSTPGVYARVTALVNWVQQTLAAN
  
Inhibitor
Name:
BDBM50089098
Synonyms:
CHEMBL266704 | Cys-Phe-Leu-Glu-Ala-Ile-Pro-Met-Asp-Ile-Pro-Pro-Glu
Type:
Small organic molecule
Emp. Form.:
C68H107N13O19S2
Mol. Mass.:
1474.783
SMILES:
CC[C@@H](C)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@H](C)CC)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](CCC(O)=O)C(O)=O
Structure:
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