Reaction Details Report a problem with these data
Target
Chymotrypsinogen A
Ligand
BDBM50283075
Substrate
n/a
Meas. Tech.
ChEMBL_49587 (CHEMBL661240)
Ki
656±n/a nM
Citation
 Chen, ST; Yang, MT; Wu, CY; Wang, KT Engineering of cyclic peptides with novel inhibiting properties to differentiate two serine proteases, chymotrypsin and subtilisin Carlsberg Bioorg Med Chem Lett 4:2123-2128 (1994)    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:
BDBM50283075
Synonyms:
CHEMBL269484 | Cyclic-NH2-Glu-Thr -Met-Glu-Tyr-Arg-Ile-GIu-Arg-Val-Lys-NH2
Type:
Small organic molecule
Emp. Form.:
C62H103N19O18S
Mol. Mass.:
1434.663
SMILES:
CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](NC(=O)[C@H](N)CCC(=O)NCCCC[C@@H](NC(=O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(C)C)C(N)=O)[C@@H](C)O
Structure:
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