Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCoagulation factor X
LigandBDBM12869
Substrate/CompetitorBDBM12658
Meas. Tech.Enzyme Assay and Determination of the Inhibition Constants.
pH7±n/a
Temperature295.15±n/a K
Ki 0.35±n/a nM
Citation Li YLFevig JMCacciola JBuriak JRossi KAJona JKnabb RMLuettgen JMWong PCBai SAWexler RRLam PY Preparation of 1-(3-aminobenzo[d]isoxazol-5-yl)-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-ones as potent, selective, and efficacious inhibitors of coagulation factor Xa. Bioorg Med Chem Lett 16:5176-82 (2006) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
Coagulation factor X
Name:Thrombin and coagulation factor X
Synonyms:Activated coagulation factor X (FXa) | Activated factor Xa heavy chain | Coagulation factor X precursor | Coagulation factor Xa | F10 | 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:
MGRPLHLVLLSASLAGLLLLGESLFIRREQANNILARVTRANSFLEEMKKGHLERECMEE
TCSYEEAREVFEDSDKTNEFWNKYKDGDQCETSPCQNQGKCKDGLGEYTCTCLEGFEGKN
CELFTRKLCSLDNGDCDQFCHEEQNSVVCSCARGYTLADNGKACIPTGPYPCGKQTLERR
KRSVAQATSSSGEAPDSITWKPYDAADLDPTENPFDLLDFNQTQPERGDNNLTRIVGGQE
CKDGECPWQALLINEENEGFCGGTILSEFYILTAAHCLYQAKRFKVRVGDRNTEQEEGGE
AVHEVEVVIKHNRFTKETYDFDIAVLRLKTPITFRMNVAPACLPERDWAESTLMTQKTGI
VSGFGRTHEKGRQSTRLKMLEVPYVDRNSCKLSSSFIITQNMFCAGYDTKQEDACQGDSG
GPHVTRFKDTYFVTGIVSWGEGCARKGKYGIYTKVTAFLKWIDRSMKTRGLPKAKSHAPE
VITSSPLK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM12869
BDBM12658
NameBDBM12869
Synonyms:1-(3-amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidine-5,7-dione | pyrazolo[4,3-d]pyrimidindione 26a
TypeSmall organic molecule
Emp. Form.C25H19F4N9O3
Mol. Mass.569.4705
SMILESCN(C)Cc1nccn1-c1ccc(c(F)c1)-n1c(=O)[nH]c2c(nn(-c3ccc4onc(N)c4c3)c2c1=O)C(F)(F)F |(5.96,5.32,;5.96,3.78,;7.29,3.01,;4.63,3.01,;4.63,1.47,;5.87,.57,;5.4,-.9,;3.86,-.9,;3.38,.57,;2.05,1.34,;.71,.57,;-.62,1.34,;-.62,2.88,;.71,3.65,;.71,5.19,;2.05,2.88,;-2.11,3.28,;-2.58,4.74,;-1.55,5.89,;-4.09,5.06,;-5.12,3.92,;-6.66,3.92,;-7.14,2.45,;-5.89,1.55,;-5.89,.01,;-7.23,-.76,;-7.23,-2.3,;-5.89,-3.07,;-5.57,-4.58,;-4.04,-4.74,;-3.41,-3.33,;-1.91,-3.01,;-4.56,-2.3,;-4.56,-.76,;-4.65,2.45,;-3.14,2.13,;-2.74,.65,;-7.57,5.16,;-8.34,6.5,;-6.28,6,;-8.86,4.33,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: