Reaction Details Report a problem with these data
Target
Coagulation factor IX
Ligand
BDBM50307308
Substrate
n/a
Meas. Tech.
ChEMBL_610620 (CHEMBL1069634)
Ki
3±n/a nM
Citation
Wang, S; Beck, R; Burd, A; Blench, T; Marlin, F; Ayele, T; Buxton, S; Dagostin, C; Malic, M; Joshi, R; Barry, J; Sajad, M; Cheung, C; Shaikh, S; Chahwala, S; Chander, C; Baumgartner, C; Holthoff, HP; Murray, E; Blackney, M; Giddings, A Structure based drug design: development of potent and selective factor IXa (FIXa) inhibitors. J Med Chem 53:1473-82 (2010) [PubMed] Article
More Info.:
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:
BDBM50307308
Synonyms:
(R)-(4-Methoxy-phenyl)-carbamic acid 2-(2-carbamimidoyl-benzo[b]thiophen-4-yloxy)-2-phenyl-ethyl ester | CHEMBL596968
Type:
Small organic molecule
Emp. Form.:
C25H23N3O4S
Mol. Mass.:
461.533
SMILES:
COc1ccc(NC(=O)OC[C@H](Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)cc1 |r|