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Target
Kallikrein
Ligand
BDBM50004609
Substrate
n/a
Meas. Tech.
ChEBML_92376
Ki
167000±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:
BDBM50004609
Synonyms:
2-{2-[2-(2-{2-[(1-Acetyl-pyrrolidine-2-carbonyl)-amino]-3-phenyl-propionylamino}-5-guanidino-pentanoylamino)-3-hydroxy-propionylamino]-3-methyl-butyrylamino}-pentanedioic acid diamide | CHEMBL104915
Type:
Small organic molecule
Emp. Form.:
C35H55N11O9
Mol. Mass.:
773.8795
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(=O)N[C@@H](CCC(N)=O)C(N)=O
Structure:
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