null

SMILES CCN(CCn1cccn1)C(=O)Cc1ccc(Oc2ccc(C#N)c(C)c2)cc1

InChI Key InChIKey=ABKHTUJKHPJZLS-UHFFFAOYSA-N

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50539928   

TargetThiol:disulfide interchange protein DsbA(Escherichia coli (strain K12))
Monash University (Parkville Campus)

Curated by ChEMBL
LigandPNGBDBM50539928(CHEMBL4635874)copy SMILEScopy InChI
Affinity DataKd:  6.20E+4nMAssay Description:Binding affinity to uniformly labeled 15N oxidized Escherichia coli DsbA by 1H-15N HSQC NMR spectroscopyMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB