Reaction Details Report a problem with these data
Target
Kallikrein
Ligand
BDBM50004608
Substrate
n/a
Meas. Tech.
ChEBML_92376
Ki
950000±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:
BDBM50004608
Synonyms:
2-{2-[2-(2-Acetylamino-5-guanidino-pentanoylamino)-3-hydroxy-propionylamino]-3-methyl-butyrylamino}-pentanedioic acid diamide | CHEMBL264393
Type:
Small organic molecule
Emp. Form.:
C21H39N9O7
Mol. Mass.:
529.5905
SMILES:
CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Structure:
Search PDB for entries with ligand similarity: