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Target
Coagulation factor IX
Ligand
BDBM241436
Substrate
US9409908, pyroGlu-Pro-Arg-pNA
Meas. Tech.
In Vitro Assay
pH
7.4±n/a
Ki
0.05±n/a nM
Comments
extracted
Citation
 Yang, W; Corte, JR; Gilligan, PJ; Pinto, DJ; Ewing, WR; Dilger, AK; Wang, Y; Fang, T; Pabbisetty, KB; Smith, II, LM Dihydropyridone p1 as factor XIa inhibitors US Patent  US9409908 Publication Date 8/9/2016 
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:
BDBM241436
Synonyms:
US9409908, 68 | US9951071, Example 68
Type:
Small organic molecule
Emp. Form.:
C30H27ClFN7O2
Mol. Mass.:
572.032
SMILES:
C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)c(Cl)ccc2-n2cnnn2)c2cc(ccn2)-c2ccccc2NC1=O |r,c:9|
Structure:
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Substrate
Name:
BDBM13573
Synonyms:
(2S)-5-carbamimidamido-N-(4-nitrophenyl)-2-{[(2S)-1-{[(2S)-5-oxopyrrolidin-2-yl]carbonyl}pyrrolidin-2-yl]formamido}pentanamide hydrochloride | Chromogenic Substrate S-2366 | Glu-Pro-Arg-pNA | Hepsin Chromogenic Substrate | L-Pyroglutamyl-L-prolyl-L-arginine-p-Nitroaniline | L-Pyroglutamyl-L-prolyl-L-argininep-Nitroaniline | S-2366
Type:
Small organic molecule
Emp. Form.:
C22H30N8O6
Mol. Mass.:
502.5236
SMILES:
[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6](=O)-[#7]-1)-[#6](=O)-[#7]-c1ccc(cc1)-[#7+](-[#8-])=O |r|
Structure:
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