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Target
Kallikrein
Ligand
BDBM50004612
Substrate
n/a
Meas. Tech.
ChEBML_92376
Ki
2292000±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:
BDBM50004612
Synonyms:
1-(2-Acetylamino-3-hydroxy-propionyl)-pyrrolidine-2-carboxylic acid [1-(1-carbamoyl-4-guanidino-butylcarbamoyl)-2-phenyl-ethyl]-amide | CHEMBL316580
Type:
Small organic molecule
Emp. Form.:
C25H38N8O6
Mol. Mass.:
546.6192
SMILES:
CC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Structure:
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