Reaction Details Report a problem with these data
Target
Coagulation factor XII
Ligand
BDBM498925
Substrate
n/a
Meas. Tech.
Factor XIIa assay
IC50
15.1±n/a nM
Citation
 Hicks, JD; McKittrick, BA; Whitehead, BR; Lombardo, M; Han, X; Taylor, JA; Chu, HD; So, S; Orth, P; Wu, Z Factor XIIa inhibitors US Patent  US11014920 Publication Date 5/25/2021 
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:
BDBM498925
Synonyms:
N-{(3S,4R)-1-(N~2~- cyclohexyl- N~2~,N~6~,N~6~- trimethyl-D-lysyl)-3- [(thiophen-2- ylmethyl)carbamoyl]pi- peridin-4-yl}-6- azaspiro[2.5]octane-6- carboxamide | US11014920, Compound 33
Type:
Small organic molecule
Emp. Form.:
C34H56N6O3S
Mol. Mass.:
628.912
SMILES:
CN(C)CCCC[C@@H](N(C)C1CCCCC1)C(=O)N1CC[C@@H](NC(=O)N2CCC3(CC3)CC2)[C@H](C1)C(=O)NCc1cccs1 |r|
Structure:
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