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Reaction Details
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TargetKallikrein
LigandBDBM50004613
Substrate/Competitorn/a
Meas. Tech.ChEBML_92376
Ki 135000±n/a nM
Citation Deshpande, MSBurton, 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 Chem35:3094-102 (1992) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Kallikrein
Name:Kallikrein
Synonyms:Kallikrein 1
Type:PROTEIN
Mol. Mass.:72241.51
Organism:Sus scrofa
Description:ChEMBL_92376
Residue:643
Sequence:
MEVIVLFRIISFRQAVYFMCLFAAVSCGCLPQLHKNTFFRGGDVSAMYTPSARHCQMMCT
FHPRCLLFSFLPADSTSVTDKRFGCFLKDSVTGMLPRVLRENAISGHSLKQCGHQIRACH
RDIYKGIDMRGVNFNVSKVKTVEECQERCTNSIHCLFFTYATQAFNNAEYRNNCLLKHSP
GGTPTSIKVLANVESGFSLKPCADSEIGCHMDIFQHLAFSDVDVARVIAPDAFVCRTICT
YHPNCLFFTFYTNAWKIESQRNVCFLKTSHSGTPSFPTPQENAISGYSLLTCKQTLPEPC
HSKIYSEVDFEGEELNVTFVQGANLCQETCTKTIRCQFFTYSLHPEDCRGEKCKCSLRLS
SDGSPTKITHGMRASSGYSLRLCRSGDHSACATKANTRIVGGTDSFLGEWPWQVSLQAKL
RAQNHLCGGSIIGHQWVLTAAHCFDGLSLPDIWRIYGGILNISEITKETPFSQVKEIIIH
QNYKILESGHDIALLKLETPLNYTDFQKPICLPSRDDTNVVYTNCWVTGWGFTEEKGEIQ
NILQKVNIPLVSNEECQKSYRDHKISKQMICAGYKEGGKDACKGESGGPLVCKYNGIWHL
VGTTSWGEGCARREQPGVYTKVIEYMDWILEKTQDDDGQSWMK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50004613
n/a
NameBDBM50004613
Synonyms:1-(2-Acetylamino-3-hydroxy-propionyl)-pyrrolidine-2-carboxylic acid (1-{1-[1-(1-carbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-ethylcarbamoyl]-4-guanidino-butylcarbamoyl}-2-phenyl-ethyl)-amide | CHEMBL322058
TypeSmall organic molecule
Emp. Form.C33H52N10O9
Mol. Mass.732.8276
SMILESCC(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(=O)[C@H](CO)NC(C)=O)C(N)=O
Structure
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