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Target
Coagulation factor IX
Ligand
BDBM50125977
Substrate
n/a
Meas. Tech.
ChEMBL_1560117 (CHEMBL3778013)
IC50
10±n/a nM
Citation
 Zhang, T; Liu, Y; Yang, X; Martin, GE; Yao, H; Shang, J; Bugianesi, RM; Ellsworth, KP; Sonatore, LM; Nizner, P; Sherer, EC; Hill, SE; Knemeyer, IW; Geissler, WM; Dandliker, PJ; Helmy, R; Wood, HB Definitive Metabolite Identification Coupled with Automated Ligand Identification System (ALIS) Technology: A Novel Approach to Uncover Structure-Activity Relationships and Guide Drug Design in a Factor IXa Inhibitor Program. J Med Chem 59:1818-29 (2016) [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:
BDBM50125977
Synonyms:
CHEMBL3627897
Type:
Small organic molecule
Emp. Form.:
C26H21Cl2FN6O
Mol. Mass.:
523.389
SMILES:
Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@@H](c2cccc(F)c2)c2ccc3[nH]c(C)nc3c2)c(Cl)c1 |r|
Structure:
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