Reaction Details Report a problem with these data
Target
Chymotrypsinogen A
Ligand
BDBM50034582
Substrate
n/a
Meas. Tech.
ChEMBL_49451 (CHEMBL659799)
Ki
0.848±n/a nM
Citation
 Deadman, JJ; Elgendy, S; Goodwin, CA; Green, D; Baban, JA; Patel, G; Skordalakes, E; Chino, N; Claeson, G; Kakkar, VV Characterization of a class of peptide boronates with neutral P1 side chains as highly selective inhibitors of thrombin. J Med Chem 38:1511-22 (1995) [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:
BDBM50034582
Synonyms:
CHEMBL2448441 | Peptide boronate
Type:
Small organic molecule
Emp. Form.:
C37H51BBrN5O6S
Mol. Mass.:
784.611
SMILES:
Br.[H][C@@]12CC3CC(C3(C)C)[C@]1(C)OB(O2)C(CCC\C(S)=N\N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |TLB:11:10:7:5,THB:12:10:7:5,14:2:7:5|
Structure:
Search PDB for entries with ligand similarity: