Reaction Details Report a problem with these data
Target
Coagulation factor XII
Ligand
BDBM498920
Substrate
n/a
Meas. Tech.
Factor XIIa assay
IC50
102±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
More Info.:
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:
BDBM498920
Synonyms:
N-{(3S,4R)-1-(N~2~- cyclohexyl- N~6~,N~6~-dimethyl- D-lysyl)-3-[(thiophen-2- ylmethyl)carbamoyl]pi- peridin-4-yl}-3,4- dihydroquinoline- 1(2H)-carboxamide | US11014920, Compound 28
Type:
Small organic molecule
Emp. Form.:
C35H52N6O3S
Mol. Mass.:
636.891
SMILES:
CN(C)CCCC[C@@H](NC1CCCCC1)C(=O)N1CC[C@@H](NC(=O)N2CCCc3ccccc23)[C@H](C1)C(=O)NCc1cccs1 |r|