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Target
Fibrinogen beta chain [164-491]
Ligand
BDBM114656
Substrate
n/a
Meas. Tech.
Fluorescence polarization-based biochemical high throughput dose response assay to identify inhibitors that disrupt the binding of a cyclic peptide (Tn6) to the fibrin proteolytic product D-Dimer
IC50
83285±n/a nM
Citation
 PubChem, PC Fluorescence polarization-based biochemical high throughput dose response assay to identify inhibitors that disrupt the binding of a cyclic peptide (Tn6) to the fibrin proteolytic product D-Dimer and fragment E complex [DD(E )] PubChem Bioassay (2013)[AID] 
Target
Name:
Fibrinogen beta chain [164-491]
Synonyms:
Chain E, Fragment Double-D From Human Fibrin | FGB | FIBB_HUMAN
Type:
Enzyme Catalytic Domain
Mol. Mass.:
37647.12
Organism:
Homo sapiens (Human)
Description:
gi_28373962
Residue:
328
Sequence:
DNENVVNEYSSELEKHQLYIDETVNSNIPTNLRVLRSILENLRSKIQKLESDVSAQMEYCRTPCTVSCNIPVVSGKECEEIIRKGGETSEMYLIQPDSSVKPYRVYCDMNTENGGWTVIQNRQDGSVDFGRKWDPYKQGFGNVATNTDGKNYCGLPGEYWLGNDKISQLTRMGPTELLIEMEDWKGDKVKAHYGGFTVQNEANKYQISVNKYRGTAGNALMDGASQLMGENRTMTIHNGMFFSTYDRDNDGWLTSDPRKQCSKEDGGGWWYNRCHAANPNGRYYWGGQYTWDMAKHGTDDGVVWMNWKGSWYSMRKMSMKIRPFFPQQ
  
Inhibitor
Name:
BDBM114656
Synonyms:
(5E)-5-[1-(4-aminoanilino)butylidene]-2,2-dimethyl-4,6-dioxo-1-cyclohexanecarboxylic acid methyl ester | (5E)-5-[1-(4-aminoanilino)butylidene]-4,6-diketo-2,2-dimethyl-cyclohexanecarboxylic acid methyl ester | 5-[1-(4-Amino-phenylamino)-but-(Z)-ylidene]-2,2-dimethyl-4,6-dioxo-cyclohexanecarboxylic acid methyl ester | MLS000559552 | SMR000149668 | cid_5904397 | methyl (5E)-5-[1-(4-aminoanilino)butylidene]-2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate | methyl (5E)-5-[1-[(4-aminophenyl)amino]butylidene]-2,2-dimethyl-4,6-bis(oxidanylidene)cyclohexane-1-carboxylate
Type:
Small organic molecule
Emp. Form.:
C20H26N2O4
Mol. Mass.:
358.4314
SMILES:
CCCC(Nc1ccc(N)cc1)=C1C(=O)CC(C)(C)C(C(=O)OC)C1=O |w:12.25|
Structure:
Search PDB for entries with ligand similarity: