Reaction Details Report a problem with these data
Target
Coagulation factor X
Ligand
BDBM50054494
Substrate
n/a
Meas. Tech.
ChEMBL_48647 (CHEMBL656929)
IC50
471±n/a nM
Citation
 Semple, JE; Rowley, DC; Brunck, TK; Ha-Uong, T; Minami, NK; Owens, TD; Tamura, SY; Goldman, EA; Siev, DV; Ardecky, RJ; Carpenter, SH; Ge, Y; Richard, BM; Nolan, TG; Håkanson, K; Tulinsky, A; Nutt, RF; Ripka, WC Design, synthesis, and evolution of a novel, selective, and orally bioavailable class of thrombin inhibitors: P1-argininal derivatives incorporating P3-P4 lactam sulfonamide moieties. J Med Chem 39:4531-6 (1996) [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:
BDBM50054494
Synonyms:
2-({(S)-1-[((S)-3-Carbamimidoyl-2-hydroxy-cyclohexylcarbamoyl)-methyl]-2-oxo-azepan-3-ylsulfamoyl}-methyl)-benzoic acid methyl ester | CHEMBL337365
Type:
Small organic molecule
Emp. Form.:
C24H35N5O7S
Mol. Mass.:
537.629
SMILES:
COC(=O)c1ccccc1CS(=O)(=O)N[C@H]1CCCCN(CC(=O)N[C@H]2CCCC(C2O)C(N)=N)C1=O
Structure:
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