Reaction Details Report a problem with these data
Target
Chymotrypsinogen A
Ligand
BDBM50459614
Substrate
n/a
Meas. Tech.
ChEMBL_1766816 (CHEMBL4202063)
IC50
1100±n/a nM
Citation
 Yang, L; Li, H; Wu, P; Mahal, A; Xue, J; Xu, L; Wei, X Dinghupeptins A-D, Chymotrypsin Inhibitory Cyclodepsipeptides Produced by a Soil-Derived Streptomyces. J Nat Prod 81:1928-1936 (2018) [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:
BDBM50459614
Synonyms:
CHEMBL4212843
Type:
Small organic molecule
Emp. Form.:
C49H67N9O14
Mol. Mass.:
1006.1082
SMILES:
[H][C@@]12CC[C@@H](OC)N([C@@H](Cc3ccccc3)C(=O)N(C)[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](C)C(=O)O[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)C(\C)=C\C)C(=O)N[C@@H](CCC(=O)NCCO)C(=O)N1)C2=O |r|
Structure:
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