Reaction Details Report a problem with these data
Target
Kallikrein
Ligand
BDBM50004607
Substrate
n/a
Meas. Tech.
ChEBML_92376
Ki
266000±n/a nM
Citation
 Deshpande, MS; Burton, J Mapping the binding site of tissue kallikrein: preparation and testing of all possible substrate analog inhibitors homologous with the sequence of kininogen between Ser386 and Gln392. J Med Chem 35:3094-102 (1992) [PubMed]  Article 
Target
Name:
Kallikrein
Synonyms:
Kallikrein 1
Type:
PROTEIN
Mol. Mass.:
72241.51
Organism:
Sus scrofa
Description:
ChEMBL_92376
Residue:
643
Sequence:
MEVIVLFRIISFRQAVYFMCLFAAVSCGCLPQLHKNTFFRGGDVSAMYTPSARHCQMMCTFHPRCLLFSFLPADSTSVTDKRFGCFLKDSVTGMLPRVLRENAISGHSLKQCGHQIRACHRDIYKGIDMRGVNFNVSKVKTVEECQERCTNSIHCLFFTYATQAFNNAEYRNNCLLKHSPGGTPTSIKVLANVESGFSLKPCADSEIGCHMDIFQHLAFSDVDVARVIAPDAFVCRTICTYHPNCLFFTFYTNAWKIESQRNVCFLKTSHSGTPSFPTPQENAISGYSLLTCKQTLPEPCHSKIYSEVDFEGEELNVTFVQGANLCQETCTKTIRCQFFTYSLHPEDCRGEKCKCSLRLSSDGSPTKITHGMRASSGYSLRLCRSGDHSACATKANTRIVGGTDSFLGEWPWQVSLQAKLRAQNHLCGGSIIGHQWVLTAAHCFDGLSLPDIWRIYGGILNISEITKETPFSQVKEIIIHQNYKILESGHDIALLKLETPLNYTDFQKPICLPSRDDTNVVYTNCWVTGWGFTEEKGEIQNILQKVNIPLVSNEECQKSYRDHKISKQMICAGYKEGGKDACKGESGGPLVCKYNGIWHLVGTTSWGEGCARREQPGVYTKVIEYMDWILEKTQDDDGQSWMK
  
Inhibitor
Name:
BDBM50004607
Synonyms:
1-Acetyl-pyrrolidine-2-carboxylic acid (1-{1-[1-(1-carbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-ethylcarbamoyl]-4-guanidino-butylcarbamoyl}-2-phenyl-ethyl)-amide | CHEMBL321719
Type:
Small organic molecule
Emp. Form.:
C30H47N9O7
Mol. Mass.:
645.7503
SMILES:
CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(C)=O)C(N)=O
Structure:
Search PDB for entries with ligand similarity: