null
SMILES NC(=[NH2+])c1cc2ccccc2s1
InChI Key InChIKey=JZWDLUGQTRKBNA-UHFFFAOYSA-O
PDB links: 1 PDB ID matches this monomer. 6 PDB IDs contain this monomer as substructures. 6 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 6 hits for monomerid = 14170
Affinity DataKi: 1.00E+3nM ΔG°: -8.10kcal/molepH: 7.4 T: 2°CAssay Description:Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...More data for this Ligand-Target Pair
In DepthDetails
Article
BindingDB Entry DOI: 10.7270/Q2NG4NWCPubMedDrugBank
MMDB
PDB
3D Structure (crystal)
BindingDB Entry DOI: 10.7270/Q2NG4NWCPubMedDrugBank
MMDB
PDB
3D Structure (crystal)
Affinity DataKi: 2.30E+3nM ΔG°: -7.61kcal/molepH: 7.4 T: 2°CAssay Description:Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...More data for this Ligand-Target Pair
Affinity DataKi: 9.90E+3nM ΔG°: -6.75kcal/molepH: 7.4 T: 2°CAssay Description:Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...More data for this Ligand-Target Pair
Affinity DataKi: 1.50E+4nM ΔG°: -6.51kcal/molepH: 7.4 T: 2°CAssay Description:Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...More data for this Ligand-Target Pair
Affinity DataKi: 2.10E+4nM ΔG°: -6.31kcal/molepH: 7.4 T: 2°CAssay Description:Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...More data for this Ligand-Target Pair
Affinity DataKi: 5.80E+4nM ΔG°: -5.72kcal/molepH: 7.4 T: 2°CAssay Description:Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...More data for this Ligand-Target Pair