Reaction Details Report a problem with these data
Target
Peroxidase C1A/Choline Oxidase
Ligand
BDBM720115
Substrate
n/a
Meas. Tech.
Bioactivity Assay (pH=8.5)
IC50
18.9±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:
BDBM720115
Synonyms:
US20250051321, Compound E7-b
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
C[C@H]1CN(CC(=O)N2CC(O)C2)CCN1c1cc(F)c2nc3c(c(N(C)c4nc(-c5ccc(F)cc5)c(C#N)s4)c2c1)CC[C@@H]3O
Structure:
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