BDBM50535044 CHEMBL4471567

SMILES c1ccc2c(c1)c(c[nH]2)CCC(=O)NS(=O)(=O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncn6c5ncc6)O)O

InChI Key InChIKey=QPCNFYXTDYZQFI-UHFFFAOYSA-N

Data  1 Kd

PDB links: 1 PDB ID matches 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 = 50535044   

TargetAdenosine 5'-monophosphoramidase HINT1(Human)
University of Minnesota

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50535044BDBM50535044(CHEMBL4471567)
Affinity DataKd:  230nMAssay Description:Binding affinity to His-tagged human full length HINT1 expressed in Rosetta2 pLysS cells by isothermal titration calorimetric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)