Reaction Details Report a problem with these data
Target
Coagulation factor IX
Ligand
BDBM50083245
Substrate
n/a
Meas. Tech.
ChEMBL_1474128 (CHEMBL3424102)
Ki
9000±n/a nM
Citation
 Parker, DL; Walsh, S; Li, B; Kim, E; Sharipour, A; Smith, C; Chen, YH; Berger, R; Harper, B; Zhang, T; Park, M; Shu, M; Wu, J; Xu, J; Dewnani, S; Sherer, EC; Hruza, A; Reichert, P; Geissler, W; Sonatore, L; Ellsworth, K; Balkovec, J; Greenlee, W; Wood, HB Rapid development of two factor IXa inhibitors from hit to lead. Bioorg Med Chem Lett 25:2321-5 (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:
BDBM50083245
Synonyms:
CHEMBL3423033
Type:
Small organic molecule
Emp. Form.:
C20H20N6O
Mol. Mass.:
360.4124
SMILES:
Cc1cc2nc(CCNC(=O)c3ccc(cc3)-n3cnnc3)[nH]c2cc1C
Structure:
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