Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCoagulation factor IX
LigandBDBM50103200
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1461140 (CHEMBL3395465)
Ki>34860±n/a nM
Citation Corte, JRFang, THangeland, JJFriends, TJRendina, ARLuettgen, JMBozarth, JMBarbera, FARossi, KAWei, ARamamurthy, VMorin, PESeiffert, DAWexler, RRQuan, ML Pyridine and pyridinone-based factor XIa inhibitors. Bioorg Med Chem Lett25:925-30 (2015) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Coagulation factor IX
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:
MQRVNMIMAESPGLITICLLGYLLSAECTVFLDHENANKILNRPKRYNSGKLEEFVQGNL
ERECMEEKCSFEEAREVFENTERTTEFWKQYVDGDQCESNPCLNGGSCKDDINSYECWCP
FGFEGKNCELDVTCNIKNGRCEQFCKNSADNKVVCSCTEGYRLAENQKSCEPAVPFPCGR
VSVSQTSKLTRAETVFPDVDYVNSTEAETILDNITQSTQSFNDFTRVVGGEDAKPGQFPW
QVVLNGKVDAFCGGSIVNEKWIVTAAHCVETGVKITVVAGEHNIEETEHTEQKRNVIRII
PHHNYNAAINKYNHDIALLELDEPLVLNSYVTPICIADKEYTNIFLKFGSGYVSGWGRVF
HKGRSALVLQYLRVPLVDRATCLRSTKFTIYNNMFCAGFHEGGRDSCQGDSGGPHVTEVE
GTSFLTGIISWGEECAMKGKYGIYTKVSRYVNWIKEKTKLT
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50103200
n/a
NameBDBM50103200
Synonyms:CHEMBL3393386
TypeSmall organic molecule
Emp. Form.C28H32N6O
Mol. Mass.468.5933
SMILESNC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1cc(ccn1)-c1ccc2c(N)n[nH]c2c1 |r,wU:2.1,wD:5.8,11.12,(2.94,9.71,;2.94,8.48,;1.61,7.7,;1.62,6.16,;.29,5.39,;-1.05,6.16,;-1.05,7.7,;.28,8.47,;-2.38,5.38,;-2.38,4.15,;-3.72,6.15,;-5.05,5.38,;-6.39,6.15,;-7.72,5.38,;-9.06,6.15,;-10.39,5.37,;-10.39,3.83,;-9.05,3.07,;-7.72,3.84,;-5.05,3.84,;-3.72,3.07,;-3.71,1.53,;-5.05,.76,;-6.38,1.53,;-6.38,3.07,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.15,-2.41,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: