Reaction Details Report a problem with these data
Target
Peroxidase C1A/Choline Oxidase
Ligand
BDBM720128
Substrate
n/a
Meas. Tech.
Bioactivity Assay (pH=8.5)
IC50
19.8±n/a nM
Citation
 DENG, G; GUO, S; FAN, J; ZHANG, Z; WU, N; SHI, W; FANG, Z; FENG, J; PENG, J; GUO, H TRICYCLIC DERIVATIVE AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF US Patent  US20250051321 Publication Date 2/13/2025 
Target
Name:
Peroxidase C1A/Choline Oxidase
Synonyms:
n/a
Type:
Protein
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Choline oxidase
Synonyms:
n/a
Type:
Protein
Mol. Mass.:
839.33
Organism:
Description:
P16101
Residue:
7
Sequence:
DNPNHSR
  
Component 2
Name:
Peroxidase C1A
Synonyms:
n/a
Type:
Protein
Mol. Mass.:
38822.64
Organism:
Horseradish
Description:
P00433
Residue:
353
Sequence:
MHFSSSSTLFTCITLIPLVCLILHASLSDAQLTPTFYDNSCPNVSNIVRDTIVNELRSDPRIAASILRLHFHDCFVNGCDASILLDNTTSFRTEKDAFGNANSARGFPVIDRMKAAVESACPRTVSCADLLTIAAQQSVTLAGGPSWRVPLGRRDSLQAFLDLANANLPAPFFTLPQLKDSFRNVGLNRSSDLVALSGGHTFGKNQCRFIMDRLYNFSNTGLPDPTLNTTYLQTLRGLCPLNGNLSALVDFDLRTPTIFDNKYYVNLEEQKGLIQSDQELFSSPNATDTIPLVRSFANSTQTFFNAFVEAMDRMGNITPLTGTQGQIRLNCRVVNSNSLLHDMVEVVDFVSSM
  
Inhibitor
Name:
BDBM720128
Synonyms:
US20250051321, Compound E13-a
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
CN(c1nc(-c2ccc(F)cc2)c(C#N)s1)c1c2c(nc3c(F)cc(N4CC5(CN(C(=O)[C@@H]6CCOC6)C5)C4)cc13)[C@H](O)CC2
Structure:
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