Target
Coagulation factor X
Ligand
BDBM12998
Substrate
BDBM12989
Meas. Tech.
Enzyme Inhibition Assay
pH
8.3±n/a
Temperature
298.15±n/a K
IC50
1.0±n/a nM
Citation
 Roehrig, SStraub, APohlmann, JLampe, TPernerstorfer, JSchlemmer, KHReinemer, PPerzborn, E Discovery of the novel antithrombotic agent 5-chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide (BAY 59-7939): an oral, direct factor Xa inhibitor. J Med Chem 48:5900-8 (2005) [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:
BDBM12998
Synonyms:
5-Chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide | 5-chloro-N-{[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl}thiophene-2-carboxamide | BAY 59-7939 Analog 13
Type:
Small organic molecule
Emp. Form.:
C20H17ClF3N3O5S
Mol. Mass.:
503.879
SMILES:
FC(F)(F)c1cc(ccc1N1CCOCC1=O)N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM12989
Synonyms:
CH3OCO-D-CHA-Gly-Arg-pNA.AcOH | Chromogenic Substrate Pefachrome FXa | acetic acid; methyl N-[(1R)-1-[({[(1S)-4-carbamimidamido-1-[(4-nitrophenyl)carbamoyl]butyl]carbamoyl}methyl)carbamoyl]-2-cyclohexylethyl]carbamate
Type:
Small organic molecule
Emp. Form.:
C25H38N8O7
Mol. Mass.:
562.6186
SMILES:
COC(=O)N[C@H](CC1CCCCC1)C(=O)NCC(=O)N[C@@H](CCC[NH+]=C(N)[NH-])C(=O)Nc1ccc(cc1)[N+]([O-])=O |r,w:24.24|
Structure:
Search PDB for entries with ligand similarity: