Reaction Details Report a problem with these data
Target
Coagulation factor IX
Ligand
BDBM393686
Substrate
n/a
Meas. Tech.
Inhibitory Activity Assay
IC50
<100±n/a nM
Citation
 Sakurada, I; Hirabayashi, T; Maeda, Y; Nagasue, H; Mizuno, T; Xu, J; Zhang, T; Smith, C; Parker, D Factor IXa inhibitors US Patent  US9969724 Publication Date 5/15/2018 
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:
BDBM393686
Synonyms:
N-(1-(3-Amino-5-chlorobenzo[d]isoxazol-7-yl)-3-methylpyrrolidin-3-yl)-2-chloro-4-(3-methyl-1H-1,2,4-triazol-1-yl)benzamide | US9969724, Example 15
Type:
Small organic molecule
Emp. Form.:
C22H21Cl2N7O2
Mol. Mass.:
486.354
SMILES:
Cc1ncn(n1)-c1ccc(C(=O)NC2(C)CCN(C2)c2cc(Cl)cc3c(N)noc23)c(Cl)c1
Structure:
Search PDB for entries with ligand similarity: