Reaction Details Report a problem with these data
Target
Coagulation factor X
Ligand
BDBM50125042
Substrate
n/a
Meas. Tech.
ChEBML_69678
IC50
59.0±n/a nM
Citation
Su, T; Yang, H; Volkots, D; Woolfrey, J; Dam, S; Wong, P; Sinha, U; Scarborough, RM; Zhu, BY Design, synthesis, and structure-activity relationships of substituted piperazinone-based transition state factor Xa inhibitors. Bioorg Med Chem Lett 13:729-32 (2003) [PubMed] Article
More Info.:
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:
BDBM50125042
Synonyms:
2-((R)-3-Benzyl-2-oxo-4-phenylmethanesulfonyl-piperazin-1-yl)-N-[(S)-4-guanidino-1-(thiazole-2-carbonyl)-butyl]-acetamide | 2-((R)-3-benzyl-4-(benzylsulfonyl)-2-oxopiperazin-1-yl)-N-((S)-5-guanidino-1-oxo-1-(thiazol-2-yl)pentan-2-yl)acetamide | CHEMBL405427
Type:
Small organic molecule
Emp. Form.:
C29H35N7O5S2
Mol. Mass.:
625.762
SMILES:
NC(=N)NCCC[C@H](NC(=O)CN1CCN([C@H](Cc2ccccc2)C1=O)S(=O)(=O)Cc1ccccc1)C(=O)c1nccs1