Reaction Details Report a problem with these data
Target
Trypsin-3
Ligand
BDBM50131988
Substrate
n/a
Meas. Tech.
ChEMBL_39227 (CHEMBL655073)
IC50
1±n/a nM
Citation
Costanzo, MJ; Yabut, SC; Almond, HR; Andrade-Gordon, P; Corcoran, TW; De Garavilla, L; Kauffman, JA; Abraham, WM; Recacha, R; Chattopadhyay, D; Maryanoff, BE Potent, small-molecule inhibitors of human mast cell tryptase. Antiasthmatic action of a dipeptide-based transition-state analogue containing a benzothiazole ketone. J Med Chem 46:3865-76 (2003) [PubMed] Article
More Info.:
Target
Name:
Trypsin-3
Synonyms:
Brain trypsinogen | Mesotrypsinogen | PRSS3 | PRSS4 | Serine protease 3 | Serine protease 4 | TRY3 | TRY3_HUMAN | TRY4 | Thrombin & trypsin | Trypsin | Trypsin III | Trypsin IV | Trypsin-3
Type:
PROTEIN
Mol. Mass.:
32532.52
Organism:
Homo sapiens (Human)
Description:
ChEMBL_216043
Residue:
304
Sequence:
MCGPDDRCPARWPGPGRAVKCGKGLAAARPGRVERGGAQRGGAGLELHPLLGGRTWRAARDADGCEALGTVAVPFDDDDKIVGGYTCEENSLPYQVSLNSGSHFCGGSLISEQWVVSAAHCYKTRIQVRLGEHNIKVLEGNEQFINAAKIIRHPKYNRDTLDNDIMLIKLSSPAVINARVSTISLPTTPPAAGTECLISGWGNTLSFGADYPDELKCLDAPVLTQAECKASYPGKITNSMFCVGFLEGGKDSCQRDSGGPVVCNGQLQGVVSWGHGCAWKNRPGVYTKVYNYVDWIKDTIAANS
Inhibitor
Name:
BDBM50131988
Synonyms:
2-[1-(Benzothiazole-2-carbonyl)-4-guanidino-butylcarbamoyl]-pyrrolidine-1-sulfonic acid methyl ester; TFA | CHEMBL124809
Type:
Small organic molecule
Emp. Form.:
C19H26N6O5S2
Mol. Mass.:
482.577
SMILES:
COS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1