Reaction Details Report a problem with these data
Target
Coagulation factor VII
Ligand
BDBM14906
Substrate
BDBM13777
Meas. Tech.
Enzyme Inhibition Assay
pH
7.4±n/a
Temperature
295.15±n/a K
Ki
25±n/a nM
Citation
 Shrader, WD; Kolesnikov, A; Burgess-Henry, J; Rai, R; Hendrix, J; Hu, H; Torkelson, S; Ton, T; Young, WB; Katz, BA; Yu, C; Tang, J; Cabuslay, R; Sanford, E; Janc, JW; Sprengeler, PA Factor VIIa inhibitors: gaining selectivity within the trypsin family. Bioorg Med Chem Lett 16:1596-600 (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:
BDBM14906
Synonyms:
2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(2,4-dichloro-6-hydroxyphenyl)-4-hydroxyphenyl]butanedioic acid | 5-amidino benzimidazole analog 17
Type:
Small organic molecule
Emp. Form.:
C24H18Cl2N4O6
Mol. Mass.:
529.329
SMILES:
NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1c(O)cc(Cl)cc1Cl)C(CC(O)=O)C(O)=O |(-12.53,-2.27,;-11.93,-.85,;-12.87,.37,;-10.41,-.66,;-9.47,-1.88,;-7.95,-1.68,;-7.35,-.26,;-5.9,.25,;-5.93,1.78,;-7.41,2.23,;-8.29,.96,;-9.81,.77,;-4.6,2.55,;-4.6,4.1,;-3.27,4.87,;-1.93,4.1,;-1.93,2.55,;-3.27,1.78,;-3.27,.24,;-.6,1.78,;.73,2.56,;.73,4.1,;2.07,1.78,;2.07,.24,;3.4,-.53,;.73,-.53,;-.6,.24,;-1.93,-.53,;-3.27,6.41,;-1.93,7.18,;-.6,6.41,;-.6,4.87,;.73,7.18,;-4.6,7.18,;-5.93,6.41,;-4.6,8.72,)|
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: