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Target
Coagulation factor XII
Ligand
BDBM50136608
Substrate
n/a
Meas. Tech.
ChEMBL_1548360 (CHEMBL3756144)
Ki
>28000±n/a nM
Citation
 Smith, LM; Orwat, MJ; Hu, Z; Han, W; Wang, C; Rossi, KA; Gilligan, PJ; Pabbisetty, KB; Osuna, H; Corte, JR; Rendina, AR; Luettgen, JM; Wong, PC; Narayanan, R; Harper, TW; Bozarth, JM; Crain, EJ; Wei, A; Ramamurthy, V; Morin, PE; Xin, B; Zheng, J; Seiffert, DA; Quan, ML; Lam, PY; Wexler, RR; Pinto, DJ Novel phenylalanine derived diamides as Factor XIa inhibitors. Bioorg Med Chem Lett 26:472-8 (2016) [PubMed]  Article 
Target
Name:
Coagulation factor XII
Synonyms:
Beta-factor XIIa part 1 | Beta-factor XIIa part 2 | Carboxylesterase 2 (intestine, liver) | Coagulation factor XII | Coagulation factor XII (FXII) | Coagulation factor XIIa heavy chain | Coagulation factor XIIa light chain | F12 | FA12_HUMAN | Factor XIIa | Factor XIIa (fXIIa) | HAF | Hageman factor
Type:
Enzyme
Mol. Mass.:
67810.07
Organism:
Homo sapiens (Human)
Description:
P00748
Residue:
615
Sequence:
MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS
  
Inhibitor
Name:
BDBM50136608
Synonyms:
CHEMBL3754069
Type:
Small organic molecule
Emp. Form.:
C26H21ClN6O4
Mol. Mass.:
516.936
SMILES:
OC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)cc1 |r|
Structure:
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