Reaction Details Report a problem with these data
Target
Coagulation factor VII
Ligand
BDBM13776
Substrate
BDBM13777
Meas. Tech.
Enzyme Inhibition Assay
pH
7.4±n/a
Temperature
295.15±n/a K
Ki
15±n/a nM
Citation
 Rai, R; Kolesnikov, A; Sprengeler, PA; Torkelson, S; Ton, T; Katz, BA; Yu, C; Hendrix, J; Shrader, WD; Stephens, R; Cabuslay, R; Sanford, E; Young, WB Discovery of novel heterocyclic factor VIIa inhibitors. Bioorg Med Chem Lett 16:2270-3 (2006) [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:
BDBM13776
Synonyms:
2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-hydroxy-5-(3-nitrophenyl)phenyl]acetic acid | CHEMBL207720 | amidine-containing inhibitor 1
Type:
Small organic molecule
Emp. Form.:
C22H17N5O5
Mol. Mass.:
431.4009
SMILES:
NC(=N)c1ccc2nc([nH]c2c1)-c1cc(CC(O)=O)cc(c1O)-c1cccc(c1)[N+]([O-])=O
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:
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