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Reaction Details
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TargetCoagulation factor X
LigandBDBM12594
Substrate/CompetitorBDBM12593
Meas. Tech.Enzyme Assay and Determination of the Inhibition Constants.
pH7.5±n/a
Temperature295.15±n/a K
Ki 1.3±n/a nM
Citation Maignan, SGuilloteau, JPChoi-Sledeski, YMBecker, MREwing, WRPauls, HWSpada, APMikol, V Molecular structures of human factor Xa complexed with ketopiperazine inhibitors: preference for a neutral group in the S1 pocket. J Med Chem46:685-90 (2003) [PubMed]  Article
More Info.:Get all data from this article,  Inhibition_Run data,   Solution Info,  Assay Method
 
Coagulation factor X
Name: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:
BDBM12594
NameBDBM12594
Synonyms:4-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE | 4-({4-[(6-chloro-1-benzothiophene-2-)sulfonyl]-2-oxopiperazin-1-yl}methyl)benzene-1-carboximidamide | CHEMBL48813 | Ketopiperazine | RPR200095
TypeSmall organic molecule
Emp. Form.C20H19ClN4O3S2
Mol. Mass.462.973
SMILESNC(=N)c1ccc(CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)cc1
Structure
BDBM12593
NameBDBM12593
Synonyms:Chromogenic Substrate Spectrozyme FXa | MeO-CO-D-CHG-Gly-Arg-pNA.AcOH | Methoxycarbonyl-D-cyclohexylglycyl-glycyl-arginine-para-nitroanilide acetate | acetic acid; methyl N-[(R)-[({[(1S)-4-carbamimidamido-1-[(4-nitrophenyl)carbamoyl]butyl]carbamoyl}methyl)carbamoyl](cyclohexyl)methyl]carbamate
TypeSmall organic molecule
Emp. Form.C24H36N8O7
Mol. Mass.548.592
SMILESCOC(=O)N[C@H](C1CCCCC1)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)Nc1ccc(cc1)[N+]([O-])=O |r|
Structure