Target
Coagulation factor IX
Ligand
BDBM12659
Substrate
BDBM12679
Meas. Tech.
Enzyme Assay and Determination of the Inhibition Constants.
Ki
3500±n/a nM
Citation
 Quan, MLLam, PYHan, QPinto, DJHe, MYLi, REllis, CDClark, CGTeleha, CASun, JHAlexander, RSBai, SLuettgen, JMKnabb, RMWong, PCWexler, 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 IX
Synonyms:
Christmas factor | Coagulation factor IX precursor | Coagulation factor IX/VIII | Coagulation factor IXa | Coagulation factor IXa heavy chain | Coagulation factor IXa light chain | F9 | FA9_HUMAN | Factor IX | Factor IXa | Factor IXa (fIXa) | PTC | Plasma thromboplastin component
Type:
Enzyme
Mol. Mass.:
51768.83
Organism:
Homo sapiens (Human)
Description:
P00740
Residue:
461
Sequence:
MQRVNMIMAESPGLITICLLGYLLSAECTVFLDHENANKILNRPKRYNSGKLEEFVQGNLERECMEEKCSFEEAREVFENTERTTEFWKQYVDGDQCESNPCLNGGSCKDDINSYECWCPFGFEGKNCELDVTCNIKNGRCEQFCKNSADNKVVCSCTEGYRLAENQKSCEPAVPFPCGRVSVSQTSKLTRAETVFPDVDYVNSTEAETILDNITQSTQSFNDFTRVVGGEDAKPGQFPWQVVLNGKVDAFCGGSIVNEKWIVTAAHCVETGVKITVVAGEHNIEETEHTEQKRNVIRIIPHHNYNAAINKYNHDIALLELDEPLVLNSYVTPICIADKEYTNIFLKFGSGYVSGWGRVFHKGRSALVLQYLRVPLVDRATCLRSTKFTIYNNMFCAGFHEGGRDSCQGDSGGPHVTEVEGTSFLTGIISWGEECAMKGKYGIYTKVSRYVNWIKEKTKLT
  
Inhibitor
Name:
BDBM12659
Synonyms:
1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-5-[(2-methylsulfonyl-3-fluoro[1,1]biphen-4-yl)aminocarbonyl]-pyrazole, Trifluoroacetic Acid | 1-(3-amino-1,2-benzoxazol-5-yl)-N-[2-fluoro-4-(2-methanesulfonylphenyl)phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide; 2,2,2-trifluoroacetic acid | CHEMBL554926 | Razaxaban Analogue | aminobenzisoxazole 38
Type:
Small organic molecule
Emp. Form.:
C25H17F4N5O4S
Mol. Mass.:
559.492
SMILES:
CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM12679
Synonyms:
BDBM13790 | BDBM14298 | Chromogenic Substrate
Type:
Small organic molecule
Emp. Form.:
C26H34N6O7S
Mol. Mass.:
574.649
SMILES:
Cc1ccc(cc1)S(=O)(=O)NCC(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)Nc1ccc(cc1)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: