Reaction Details Report a problem with these data
Target
Coagulation factor VII
Ligand
BDBM23557
Substrate
BDBM13553
Meas. Tech.
IC50 Value Determination
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:
BDBM23557
Synonyms:
3-Carboxamide-coumarin deriv., 33 | N-(4-chlorophenyl)-6-methyl-2-oxo-2H-chromene-3-carboxamide
Type:
Small organic molecule
Emp. Form.:
C17H12ClNO3
Mol. Mass.:
313.735
SMILES:
Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1ccc(Cl)cc1
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: