Reaction Details Report a problem with these data
Target
Anionic trypsin
Ligand
BDBM13279
Substrate
n/a
Meas. Tech.
ChEMBL_212180 (CHEMBL817744)
Ki
530±n/a nM
Citation
 Ewing, WR; Becker, MR; Manetta, VE; Davis, RS; Pauls, HW; Mason, H; Choi-Sledeski, YM; Green, D; Cha, D; Spada, AP; Cheney, DL; Mason, JS; Maignan, S; Guilloteau, JP; Brown, K; Colussi, D; Bentley, R; Bostwick, J; Kasiewski, CJ; Morgan, SR; Leadley, RJ; Dunwiddie, CT; Perrone, MH; Chu, V Design and structure-activity relationships of potent and selective inhibitors of blood coagulation factor Xa. J Med Chem 42:3557-71 (1999) [PubMed]  Article 
Target
Name:
Anionic trypsin
Synonyms:
Anionic trypsin | TRY2_BOVIN | Trypsin II
Type:
PROTEIN
Mol. Mass.:
26281.39
Organism:
Bos taurus
Description:
ChEMBL_212177
Residue:
247
Sequence:
MHPLLILAFVGAAVAFPSDDDDKIVGGYTCAENSVPYQVSLNAGYHFCGGSLINDQWVVSAAHCYQYHIQVRLGEYNIDVLEGGEQFIDASKIIRHPKYSSWTLDNDILLIKLSTPAVINARVSTLLLPSACASAGTECLISGWGNTLSSGVNYPDLLQCLVAPLLSHADCEASYPGQITNNMICAGFLEGGKDSCQGDSGGPVACNGQLQGIVSWGYGCAQKGKPGVYTKVCNYVDWIQETIAANS
  
Inhibitor
Name:
BDBM13279
Synonyms:
4-{[(3S)-3-[(7-methoxynaphthalene-2-)(methyl)sulfonamido]-2-oxopyrrolidin-1-yl]methyl}thiophene-2-carboximidamide | 4-{[(3S)-3-{[(7-methoxynaphthalen-2-yl)sulfonyl](methyl)amino}-2-oxopyrrolidin-1-yl]methyl}thiophene-2-carboximidamide | CHEMBL84638 | RPR120844 | Sulfonamidopyrrolidinone
Type:
Small organic molecule
Emp. Form.:
C22H24N4O4S2
Mol. Mass.:
472.58
SMILES:
COc1ccc2ccc(cc2c1)S(=O)(=O)N(C)[C@H]1CCN(Cc2csc(c2)C(N)=N)C1=O |r|
Structure:
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