Reaction Details Report a problem with these data
Target
Chymotrypsinogen A
Ligand
BDBM50066332
Substrate
n/a
Meas. Tech.
ChEMBL_49753 (CHEMBL662085)
Ki
131000±n/a nM
Citation
Tucker, TJ; Brady, SF; Lumma, WC; Lewis, SD; Gardell, SJ; Naylor-Olsen, AM; Yan, Y; Sisko, JT; Stauffer, KJ; Lucas, BJ; Lynch, JJ; Cook, JJ; Stranieri, MT; Holahan, MA; Lyle, EA; Baskin, EP; Chen, IW; Dancheck, KB; Krueger, JA; Cooper, CM; Vacca, JP Design and synthesis of a series of potent and orally bioavailable noncovalent thrombin inhibitors that utilize nonbasic groups in the P1 position. J Med Chem 41:3210-9 (1998) [PubMed] Article
More Info.:
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:
BDBM50066332
Synonyms:
(S)-1-((R)-2-Amino-2-cyclohexyl-acetyl)-pyrrolidine-2-carboxylic acid 2-carbamoylmethoxy-5-chloro-benzylamide | CHEMBL108717
Type:
Small organic molecule
Emp. Form.:
C22H31ClN4O4
Mol. Mass.:
450.959
SMILES:
N[C@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1OCC(N)=O