Reaction Details Report a problem with these data
Target
Coagulation factor X
Ligand
BDBM50085516
Substrate
n/a
Meas. Tech.
ChEBML_49331
Ki
200±n/a nM
Citation
 Galemmo, RA; Wells, BL; Rossi, KA; Alexander, RS; Dominguez, C; Maduskuie, TP; Stouten, PF; Wright, MR; Aungst, BJ; Wong, PC; Knabb, RM; Wexler, RR The de novo design and synthesis of cyclic urea inhibitors of factor Xa: optimization of the S4 ligand. Bioorg Med Chem Lett 10:301-4 (2000) [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:
BDBM50085516
Synonyms:
Cyclic urea 2,4-diazepin-3-one analogue | bis(2,2,2-trifluoroacetate); [amino(3-{2-oxo-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,3-diazepan-1-yl}phenyl)methylidene]azanium
Type:
Small organic molecule
Emp. Form.:
C23H31N6O
Mol. Mass.:
407.5313
SMILES:
NC(=[NH2+])c1cccc(c1)N1CCCCN(C2CCN(Cc3ccncc3)CC2)C1=O
Structure:
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