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Target
Plasma kallikrein
Ligand
BDBM23566
Substrate
BDBM13777
Meas. Tech.
IC50 Value Determination
IC50
>50000±n/a nM
Citation
 Robert, S; Bertolla, C; Masereel, B; Dogné, JM; Pochet, L Novel 3-carboxamide-coumarins as potent and selective FXIIa inhibitors. J Med Chem 51:3077-80 (2008) [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:
BDBM23566
Synonyms:
3-Carboxamide-coumarin deriv., 43 | 6,8-dichloro-N-(3,5-dimethylphenyl)-2-oxo-2H-chromene-3-carboxamide
Type:
Small organic molecule
Emp. Form.:
C18H13Cl2NO3
Mol. Mass.:
362.207
SMILES:
Cc1cc(C)cc(NC(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)c1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM13777
Synonyms:
(2S)-5-carbamimidamido-2-{2-[(2R)-3-cyclohexyl-2-methanesulfonamidopropanamido]butanamido}-N-(4-nitrophenyl)pentanamide; acetic acid | CH3SO2-D-CHA-But-Arg-pNA. AcOH | Pefachrome FVIIa
Type:
Small organic molecule
Emp. Form.:
C26H42N8O7S
Mol. Mass.:
610.726
SMILES:
CCC(NC(=O)C(CC1CCCCC1)NS(C)(=O)=O)C(=O)NC(CCC\[NH+]=C(\N)[NH-])C(=O)Nc1ccc(cc1)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: