Reaction Details Report a problem with these data
Target
Coagulation factor X
Ligand
BDBM12961
Substrate
BDBM12978
Meas. Tech.
Enzyme Inhibition Assay
IC50
>200000±n/a nM
Citation
 Lin, J; Deng, H; Jin, L; Pandey, P; Quinn, J; Cantin, S; Rynkiewicz, MJ; Gorga, JC; Bibbins, F; Celatka, CA; Nagafuji, P; Bannister, TD; Meyers, HV; Babine, RE; Hayward, NJ; Weaver, D; Benjamin, H; Stassen, F; Abdel-Meguid, SS; Strickler, JE Design, synthesis, and biological evaluation of peptidomimetic inhibitors of factor XIa as novel anticoagulants. J Med Chem 49:7781-91 (2006) [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:
BDBM12961
Synonyms:
(2S)-N-[(1S)-1-{[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamoyl}-2,2-dimethylpropyl]-2-({[(3,4-dichlorophenyl)methyl]carbamoyl}amino)-4-methylpentanamide | alpha-ketothiazole analogue 21
Type:
Small organic molecule
Emp. Form.:
C29H42Cl2N8O4S
Mol. Mass.:
669.666
SMILES:
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#7]-[#6]-c1ccc(Cl)c(Cl)c1)-[#6](=O)-[#7]-[#6@H](-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1)C([#6])([#6])[#6] |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM12978
Synonyms:
(2S)-5-carbamimidamido-2-[(4-methyl-2-oxo-2H-chromen-7-yl)amino]-N-[(2S)-3-phenyl-2-[(2S)-pyrrolidin-2-ylformamido]propanoyl]pentanamide | Factor Xa Fluorogenic Substrate | H-Pro-Phe-Arg-AMC
Type:
n/a
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
n/a
Structure: