Reaction Details Report a problem with these data
Target
Plasma kallikrein
Ligand
BDBM50180517
Substrate
n/a
Meas. Tech.
ChEMBL_344178 (CHEMBL868878)
Ki
0.5±n/a nM
Citation
 Young, WB; Rai, R; Shrader, WD; Burgess-Henry, J; Hu, H; Elrod, KC; Sprengeler, PA; Katz, BA; Sukbuntherng, J; Mordenti, J Small molecule inhibitors of plasma kallikrein. Bioorg Med Chem Lett 16:2034-6 (2006) [PubMed]  Article 
Target
Name:
Plasma kallikrein
Synonyms:
Fletcher factor | KLK3 | KLKB1 | KLKB1_HUMAN | Kallikrein | Kininogenin | Plasma kallikrein heavy chain | Plasma kallikrein light chain | Plasma prekallikrein
Type:
Protein
Mol. Mass.:
71391.16
Organism:
Homo sapiens (Human)
Description:
P03952
Residue:
638
Sequence:
MILFKQATYFISLFATVSCGCLTQLYENAFFRGGDVASMYTPNAQYCQMRCTFHPRCLLFSFLPASSINDMEKRFGCFLKDSVTGTLPKVHRTGAVSGHSLKQCGHQISACHRDIYKGVDMRGVNFNVSKVSSVEECQKRCTSNIRCQFFSYATQTFHKAEYRNNCLLKYSPGGTPTAIKVLSNVESGFSLKPCALSEIGCHMNIFQHLAFSDVDVARVLTPDAFVCRTICTYHPNCLFFTFYTNVWKIESQRNVCLLKTSESGTPSSSTPQENTISGYSLLTCKRTLPEPCHSKIYPGVDFGGEELNVTFVKGVNVCQETCTKMIRCQFFTYSLLPEDCKEEKCKCFLRLSMDGSPTRIAYGTQGSSGYSLRLCNTGDNSVCTTKTSTRIVGGTNSSWGEWPWQVSLQVKLTAQRHLCGGSLIGHQWVLTAAHCFDGLPLQDVWRIYSGILNLSDITKDTPFSQIKEIIIHQNYKVSEGNHDIALIKLQAPLNYTEFQKPICLPSKGDTSTIYTNCWVTGWGFSKEKGEIQNILQKVNIPLVTNEECQKRYQDYKITQRMVCAGYKEGGKDACKGDSGGPLVCKHNGMWRLVGITSWGEGCARREQPGVYTKVAEYMDWILEKTQSSDGKAQMQSPA
  
Inhibitor
Name:
BDBM50180517
Synonyms:
2-[5-(5-carbamimidoyl-1H-benzoimidazol-2-yl)-3'-carbamoyl-6-hydroxy-biphenyl-3-yl]-succinic acid | CHEMBL206454
Type:
Small organic molecule
Emp. Form.:
C25H21N5O6
Mol. Mass.:
487.4641
SMILES:
NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(-c2cccc(c2)C(N)=O)c1O)C(CC(O)=O)C(O)=O
Structure:
Search PDB for entries with ligand similarity: