Reaction Details Report a problem with these data
Target
Coagulation factor VII
Ligand
BDBM50167831
Substrate
n/a
Meas. Tech.
ChEMBL_304953 (CHEMBL827832)
IC50
21±n/a nM
Citation
 Schweitzer, BA; Neumann, WL; Rahman, HK; Kusturin, CL; Sample, KR; Poda, GI; Kurumbail, RG; Stevens, AM; Stegeman, RA; Stallings, WC; South, MS Structure-based design and synthesis of pyrazinones containing novel P1 'side pocket' moieties as inhibitors of TF/VIIa. Bioorg Med Chem Lett 15:3006-11 (2005) [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:
BDBM50167831
Synonyms:
CHEMBL189166 | {2-[(2-{6-[3-Amino-5-((R)-sec-butylcarbamoyl)-phenyl]-3-isopropylamino-2-oxo-2H-pyrazin-1-yl}-acetylamino)-methyl]-5-carbamimidoyl-benzoylamino}-acetic acid
Type:
Small organic molecule
Emp. Form.:
C31H39N9O6
Mol. Mass.:
633.6981
SMILES:
CC[C@@H](C)NC(=O)c1cc(N)cc(c1)-c1cnc(NC(C)C)c(=O)n1CC(=O)NCc1ccc(cc1C(=O)NCC(O)=O)C(N)=N
Structure:
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