Reaction Details Report a problem with these data
Target
Coagulation factor XII
Ligand
BDBM498904
Substrate
n/a
Meas. Tech.
Factor XIIa assay
IC50
41.7±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:
BDBM498904
Synonyms:
N-[(3S,4R)-3-{[4-(amino- methyl)benzyl]carbamoyl}- 1-(N-cyclohexyl-3- cyclopropyl-D- alanyl)piperidin-4-yl]- 6-azaspiro[2.5]octane- 6-carboxamide | US11014920, Compound 12
Type:
Small organic molecule
Emp. Form.:
C34H52N6O3
Mol. Mass.:
592.8151
SMILES:
NCc1ccc(CNC(=O)[C@H]2CN(CC[C@H]2NC(=O)N2CCC3(CC3)CC2)C(=O)[C@@H](CC2CC2)NC2CCCCC2)cc1 |r|
Structure:
Search PDB for entries with ligand similarity: