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Target
Coagulation factor IX
Ligand
BDBM50272538
Substrate
n/a
Meas. Tech.
ChEMBL_510238 (CHEMBL1005616)
Ki
>100000±n/a nM
Citation
 Shiraishi, T; Kadono, S; Haramura, M; Kodama, H; Ono, Y; Iikura, H; Esaki, T; Koga, T; Hattori, K; Watanabe, Y; Sakamoto, A; Yoshihashi, K; Kitazawa, T; Esaki, K; Ohta, M; Sato, H; Kozono, T Factor VIIa inhibitors: target hopping in the serine protease family using X-ray structure determination. Bioorg Med Chem Lett 18:4533-7 (2008) [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:
BDBM50272538
Synonyms:
2-({(1S,2S)-1-[(S)-1-(4-Carbamimidoyl-benzylcarbamoyl)-3-carbamoyl-propylcarbamoyl]-2-methyl-butylsulfamoyl}-methyl)-benzoic acid | CHEMBL505986
Type:
Small organic molecule
Emp. Form.:
C27H36N6O7S
Mol. Mass.:
588.676
SMILES:
CC[C@H](C)[C@H](NS(=O)(=O)Cc1ccccc1C(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccc(cc1)C(N)=N |r|
Structure:
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