Reaction Details |
| Report a problem with these data |
Target | Coagulation factor XII |
---|
Ligand | BDBM50583799 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_2158168 (CHEMBL5042918) |
---|
IC50 | 46±n/a nM |
---|
Citation | Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ Potent Cyclic Peptide Inhibitors of FXIIa Discovered by mRNA Display with Genetic Code Reprogramming. J Med Chem64:7853-7876 (2021) [PubMed] Article |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
Coagulation factor XII |
---|
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: | MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHK
CTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCL
CPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRT
NPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQP
WASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQ
AAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCG
QRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAP
EDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSP
YVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGS
SILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYT
DVAYYLAWIREHTVS
|
|
|
BDBM50583799 |
---|
n/a |
---|
Name | BDBM50583799 |
Synonyms: | CHEMBL5071602 |
Type | Small organic molecule |
Emp. Form. | C66H102FN23O16S |
Mol. Mass. | 1524.724 |
SMILES | [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC2=O)C(N)=O |r| |
Structure |
|