Reaction Details Report a problem with these data
Target
Coagulation factor IX
Ligand
BDBM50126941
Substrate
n/a
Meas. Tech.
ChEMBL_1524004 (CHEMBL3630476)
Ki
2.1±n/a nM
Citation
 Meng, D; Andre, P; Bateman, TJ; Berger, R; Chen, YH; Desai, K; Dewnani, S; Ellsworth, K; Feng, D; Geissler, WM; Guo, L; Hruza, A; Jian, T; Li, H; Metzger, J; Parker, DL; Reichert, P; Sherer, EC; Smith, CJ; Sonatore, LM; Tschirret-Guth, R; Wu, J; Xu, J; Zhang, T; Campeau, LC; Orr, R; Poirier, M; McCabe-Dunn, J; Araki, K; Nishimura, T; Sakurada, I; Hirabayashi, T; Wood, HB Development of a novel tricyclic class of potent and selective FIXa inhibitors. Bioorg Med Chem Lett 25:5437-43 (2015) [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:
BDBM50126941
Synonyms:
CHEMBL3628838
Type:
Small organic molecule
Emp. Form.:
C29H27ClN6O
Mol. Mass.:
511.017
SMILES:
Cc1ncn(n1)-c1ccc(C(=O)N[C@@]2(CCc3nn4cc(C)ccc4c3C2)c2cccc(C)c2)c(Cl)c1 |r|
Structure:
Search PDB for entries with ligand similarity: