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Target
Coagulation factor VII
Ligand
BDBM31471
Substrate
Spectrozyme-FVIIa
Meas. Tech.
TF-FVIIa Enzyme Inhibition Assay
pH
7.2±n/a
Temperature
296.15±n/a K
IC50
45±n/a nM
Citation
 Kotian, PL; Krishnan, R; Rowland, S; El-Kattan, Y; Saini, SK; Upshaw, R; Bantia, S; Arnold, S; Babu, YS; Chand, P Design, parallel synthesis, and crystal structures of biphenyl antithrombotics as selective inhibitors of tissue factor FVIIa complex. Part 1: Exploration of S2 pocket pharmacophores. Bioorg Med Chem 17:3934-58 (2009) [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:
BDBM31471
Synonyms:
substituted biphenyl derivative, 36k
Type:
Small organic molecule
Emp. Form.:
C31H34N4O4
Mol. Mass.:
526.6261
SMILES:
[#6]-[#6](-[#6])-[#6]-[#7]-[#6](=O)-c1ccc(c(c1)-[#6](-[#8])=O)-c1ccc(-[#6]\[#6]=[#6](\[#6])-[#6])cc1-[#6](=O)-[#7]-c1ccc(cc1)-[#6](-[#7])=[#7]
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Spectrozyme-FVIIa
Synonyms:
CH3SO2-D-CHA-But-Arg-pNA.AcOH | methanesulphonyl- D-cyclohexylalanyl-butyl-arginine p-nitroanilide acetate
Type:
Chromogenic peptide substrate
Mol. Mass.:
358.43
Organism:
n/a
Description:
n/a
Residue:
3
Sequence:
NA