Reaction Details Report a problem with these data
Target
Coagulation factor X
Ligand
BDBM50215436
Substrate
n/a
Meas. Tech.
ChEMBL_439442 (CHEMBL888562)
IC50
>30000±n/a nM
Citation
 Trujillo, JI; Huang, HC; Neumann, WL; Mahoney, MW; Long, S; Huang, W; Garland, DJ; Kusturin, C; Abbas, Z; South, MS; Reitz, DB Design, synthesis, and biological evaluation of pyrazinones containing novel P1 needles as inhibitors of TF/VIIa. Bioorg Med Chem Lett 17:4568-74 (2007) [PubMed]  Article 
Target
Name:
Coagulation factor X
Synonyms:
Activated coagulation factor X (FXa) | Activated factor Xa heavy chain | Coagulation factor X precursor | Coagulation factor Xa | F10 | FA10_HUMAN | Factor X heavy chain | Factor X light chain | Factor Xa | Stuart factor | Stuart-Prower factor
Type:
Enzyme
Mol. Mass.:
54726.60
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
488
Sequence:
MGRPLHLVLLSASLAGLLLLGESLFIRREQANNILARVTRANSFLEEMKKGHLERECMEETCSYEEAREVFEDSDKTNEFWNKYKDGDQCETSPCQNQGKCKDGLGEYTCTCLEGFEGKNCELFTRKLCSLDNGDCDQFCHEEQNSVVCSCARGYTLADNGKACIPTGPYPCGKQTLERRKRSVAQATSSSGEAPDSITWKPYDAADLDPTENPFDLLDFNQTQPERGDNNLTRIVGGQECKDGECPWQALLINEENEGFCGGTILSEFYILTAAHCLYQAKRFKVRVGDRNTEQEEGGEAVHEVEVVIKHNRFTKETYDFDIAVLRLKTPITFRMNVAPACLPERDWAESTLMTQKTGIVSGFGRTHEKGRQSTRLKMLEVPYVDRNSCKLSSSFIITQNMFCAGYDTKQEDACQGDSGGPHVTRFKDTYFVTGIVSWGEGCARKGKYGIYTKVTAFLKWIDRSMKTRGLPKAKSHAPEVITSSPLK
  
Inhibitor
Name:
BDBM50215436
Synonyms:
2-[6-(3-aminophenyl)-5-chloro-3-(cyclobutylamino)-2-oxo-1,2-dihydropyrazin-1-yl]-N-{[4-carbamimidoyl-2-(trifluoromethyl)phenyl]methyl}acetamide | CHEMBL230032
Type:
Small organic molecule
Emp. Form.:
C25H25ClF3N7O2
Mol. Mass.:
547.96
SMILES:
NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NC3CCC3)c2=O)-c2cccc(N)c2)c(c1)C(F)(F)F
Structure:
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