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Target
Coagulation factor X
Ligand
BDBM12662
Substrate
BDBM12658
Meas. Tech.
Enzyme Assay and Determination of the Inhibition Constants.
pH
7±n/a
Temperature
295.15±n/a K
Ki
0.51±n/a nM
Citation
 Quan, ML; Lam, PY; Han, Q; Pinto, DJ; He, MY; Li, R; Ellis, CD; Clark, CG; Teleha, CA; Sun, JH; Alexander, RS; Bai, S; Luettgen, JM; Knabb, RM; Wong, PC; Wexler, RR Discovery of 1-(3'-aminobenzisoxazol-5'-yl)-3-trifluoromethyl-N-[2-fluoro-4-[(2'-dimethylaminomethyl)imidazol-1-yl]phenyl]-1H-pyrazole-5-carboxyamide hydrochloride (razaxaban), a highly potent, selective, and orally bioavailable factor Xa inhibitor. J Med Chem 48:1729-44 (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:
BDBM12662
Synonyms:
1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-5-[4-(1-methylimidazol-2-yl)-2-fluorophenyl)aminocarbonyl]-Bis(trifluoroacetic acid) Salt | 1-(3-amino-1,2-benzoxazol-5-yl)-N-[2-fluoro-4-(1-methyl-1H-imidazol-2-yl)phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide; bis(2,2,2-trifluoroacetic acid) | Razaxaban Analogue | aminobenzisoxazole 28
Type:
Small organic molecule
Emp. Form.:
C22H15F4N7O2
Mol. Mass.:
485.3938
SMILES:
Cn1ccnc1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1
Structure:
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Substrate
Name:
BDBM12658
Synonyms:
4-[({[(1S)-4-carbamimidamido-1-[(4-nitrophenyl)carbamoyl]butyl]carbamoyl}methyl)carbamoyl]-4-[(2S,3S)-3-methyl-2-(phenylformamido)pentanamido]butanoic acid hydrochloride | Bz-Ile-Glu-Gly-Arg-pNA | Chromogenic Substrate S-2222 | L-Argininamide, N-benzoyl-L-isoleucyl-L-alpha-glutamylglycyl-N-(4-nitrophenyl)-, monohydrochloride | benzoyl-Ile-Glu-Gly-Arg-p-nitroanilide
Type:
Small organic molecule
Emp. Form.:
C32H43N9O9
Mol. Mass.:
697.7387
SMILES:
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#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|
Structure:
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