Reaction Details Report a problem with these data
Target
Coagulation factor VII
Ligand
BDBM23549
Substrate
BDBM13553
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:
Coagulation factor VII
Synonyms:
Eptacog alfa | F7 | FA7_HUMAN | Factor VIIa | Factor VIIa (fVIIa) | Proconvertin | SPCA | Thrombin and coagulation factor VII | serum prothrombin conversion accelerator
Type:
Enzyme
Mol. Mass.:
51599.89
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
466
Sequence:
MVSQALRLLCLLLGLQGCLAAGGVAKASGGETRDMPWKPGPHRVFVTQEEAHGVLHRRRRANAFLEELRPGSLERECKEEQCSFEEAREIFKDAERTKLFWISYSDGDQCASSPCQNGGSCKDQLQSYICFCLPAFEGRNCETHKDDQLICVNENGGCEQYCSDHTGTKRSCRCHEGYSLLADGVSCTPTVEYPCGKIPILEKRNASKPQGRIVGGKVCPKGECPWQVLLLVNGAQLCGGTLINTIWVVSAAHCFDKIKNWRNLIAVLGEHDLSEHDGDEQSRRVAQVIIPSTYVPGTTNHDIALLRLHQPVVLTDHVVPLCLPERTFSERTLAFVRFSLVSGWGQLLDRGATALELMVLNVPRLMTQDCLQQSRKVGDSPNITEYMFCAGYSDGSKDSCKGDSGGPHATHYRGTWYLTGIVSWGQGCATVGHFGVYTRVSQYIEWLQKLMRSEPRPGVLLRAPFP
  
Inhibitor
Name:
BDBM23549
Synonyms:
3-Carboxamide-coumarin deriv., 47 | 6-bromo-8-methoxy-2-oxo-N-phenyl-2H-chromene-3-carboxamide
Type:
Small organic molecule
Emp. Form.:
C17H12BrNO4
Mol. Mass.:
374.185
SMILES:
COc1cc(Br)cc2cc(C(=O)Nc3ccccc3)c(=O)oc12
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM13553
Synonyms:
(2S)-5-carbamimidamido-2-{2-[(2R)-2-methanesulfonamido-3-phenylpropanamido]acetamido}-N-(4-nitrophenyl)pentanamide; acetic acid | Chromozym tPA | N-Methylsulfonyl-D-Phe-Gly-Arg-4-nitranilide acetate
Type:
Small organic molecule
Emp. Form.:
C24H32N8O7S
Mol. Mass.:
576.625
SMILES:
CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)Nc1ccc(cc1)[N+]([O-])=O |r|
Structure:
Search PDB for entries with ligand similarity: