Reaction Details Report a problem with these data
Target
Chymotrypsinogen A
Ligand
BDBM50089095
Substrate
n/a
Meas. Tech.
ChEBML_49942
Ki
160000±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:
Bos taurus (bovine)
Description:
n/a
Residue:
245
Sequence:
CGVPAIQPVLSGLSRIVNGEEAVPGSWPWQVSLQDKTGFHFCGGSLINENWVVTAAHCGVTTSDVVVAGEFDQGSSSEKIQKLKIAKVFKNSKYNSLTINNDITLLKLSTAASFSQTVSAVCLPSASDDFAAGTTCVTTGWGLTRYTNANTPDRLQQASLPLLSNTNCKKYWGTKIKDAMICAGASGVSSCMGDSGGPLVCKKNGAWTLVGIVSWGSSTCSTSTPGVYARVTALVNWVQQTLAAN
  
Inhibitor
Name:
BDBM50089095
Synonyms:
CHEMBL216418 | Met-Phe-Leu-Glu-Ala-Ile-Pro-Met-Ser-Ile
Type:
Small organic molecule
Emp. Form.:
C53H86N10O14S2
Mol. Mass.:
1151.439
SMILES:
CC[C@@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[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@H](C)CC)C(O)=O
Structure:
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