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Reaction Details
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TargetCoagulation factor X
LigandBDBM12389
Substrate/CompetitorBDBM12500
Meas. Tech.Factor Xa Inhibition Assay
Ki 0.1±n/a nM
Citation Nazare, MWill, DWMatter, HSchreuder, HRitter, KUrmann, MEssrich, MBauer, AWagner, MCzech, JLorenz, MLaux, VWehner, V Probing the subpockets of factor Xa reveals two binding modes for inhibitors based on a 2-carboxyindole scaffold: a study combining structure-activity relationship and X-ray crystallography. J Med Chem48:4511-25 (2005) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
Coagulation factor X
Name:Thrombin and 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
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BDBM12389
NameBDBM12389
Synonyms:1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-7-nitro-1H-indole-2-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide | 1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl}-7-nitro-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide | 2-Carboxyindole Scaffold 39
TypeSmall organic molecule
Emp. Form.C25H26ClN5O4S
Mol. Mass.528.023
SMILESCC(C)N1CCC(CC1)NC(=O)c1cc2cccc([N+]([O-])=O)c2n1Cc1cc(on1)-c1ccc(Cl)s1
Structure
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BDBM12500
NameBDBM12500
Synonyms:Cbz-D-Arg-Gly-L-Arg-pNA | Chromogenic Substrate S-2765 | N-a-Benzyloxycarbonyl-Darginyl-L-glycyl-L-arginine-pnitroaniline | N-alpha-Z-D-Arg-Gly-Arg-p-nitroanilide | benzyl N-[(1R)-4-carbamimidamido-1-[({[(1S)-4-carbamimidamido-1-[(4-nitrophenyl)carbamoyl]butyl]carbamoyl}methyl)carbamoyl]butyl]carbamate
TypeSmall organic molecule
Emp. Form.C28H39N11O7
Mol. Mass.641.6788
SMILES[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7+]=[#6](-[#7])-[#7-])-[#6](=O)-[#7]-c1ccc(cc1)-[#7+](-[#8-])=O |r,w:30.30|
Structure
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