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Target
Plasma kallikrein
Ligand
BDBM50499237
Substrate
n/a
Meas. Tech.
ChEMBL_1540254 (CHEMBL3738915)
Ki
43±n/a nM
Citation
 Xu, P; Xu, M; Jiang, L; Yang, Q; Luo, Z; Dauter, Z; Huang, M; Andreasen, PA Design of Specific Serine Protease Inhibitors Based on a Versatile Peptide Scaffold: Conversion of a Urokinase Inhibitor to a Plasma Kallikrein Inhibitor. J Med Chem 58:8868-76 (2015) [PubMed]  Article 
Target
Name:
Plasma kallikrein
Synonyms:
3.4.21.34 | Fletcher factor | KLKB1_MOUSE | Kininogenin | Klk3 | Klkb1 | Pk | Plasma kallikrein | Plasma kallikrein heavy chain | Plasma kallikrein light chain | Plasma prekallikrein
Type:
PROTEIN
Mol. Mass.:
71398.99
Organism:
Mus musculus
Description:
ChEMBL_103492
Residue:
638
Sequence:
MILFNRVGYFVSLFATVSCGCMTQLYKNTFFRGGDLAAIYTPDAQYCQKMCTFHPRCLLFSFLAVTPPKETNKRFGCFMKESITGTLPRIHRTGAISGHSLKQCGHQISACHRDIYKGLDMRGSNFNISKTDNIEECQKLCTNNFHCQFFTYATSAFYRPEYRKKCLLKHSASGTPTSIKSADNLVSGFSLKSCALSEIGCPMDIFQHSAFADLNVSQVITPDAFVCRTICTFHPNCLFFTFYTNEWETESQRNVCFLKTSKSGRPSPPIPQENAISGYSLLTCRKTRPEPCHSKIYSGVDFEGEELNVTFVQGADVCQETCTKTIRCQFFIYSLLPQDCKEEGCKCSLRLSTDGSPTRITYGMQGSSGYSLRLCKLVDSPDCTTKINARIVGGTNASLGEWPWQVSLQVKLVSQTHLCGGSIIGRQWVLTAAHCFDGIPYPDVWRIYGGILSLSEITKETPSSRIKELIIHQEYKVSEGNYDIALIKLQTPLNYTEFQKPICLPSKADTNTIYTNCWVTGWGYTKEQGETQNILQKATIPLVPNEECQKKYRDYVINKQMICAGYKEGGTDACKGDSGGPLVCKHSGRWQLVGITSWGEGCARKDQPGVYTKVSEYMDWILEKTQSSDVRALETSSA
  
Inhibitor
Name:
BDBM50499237
Synonyms:
CHEMBL3735217
Type:
Small organic molecule
Emp. Form.:
C59H91N17O11S2
Mol. Mass.:
1278.591
SMILES:
[H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC2=O)C(O)=O |r|
Structure:
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