BDBM50650010 CHEMBL5630193

SMILES CCOP(=O)(COc1ccc(C[C@H](NC(=O)O[C@H]2CO[C@H]3OCC[C@H]32)[C@H](O)CN(C[C@@H](C)CC)S(=O)(=O)c2ccc3ncsc3c2)cc1)OCC

InChI Key

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50650010   

TargetProtease(Human immunodeficiency virus type 1)
University of Massachusetts Chan Medical School

Curated by ChEMBL
LigandPNGBDBM50650010(CHEMBL5630193)
Affinity DataKi: <0.00500nMAssay Description:Binding affinity to drug-resistant HIV-1 protease I84V mutant expressed in Escherichia coli TAP-106 cells assessed as inhibition constant using a EDA...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetProtease(Human immunodeficiency virus type 1)
University of Massachusetts Chan Medical School

Curated by ChEMBL
LigandPNGBDBM50650010(CHEMBL5630193)
Affinity DataKi: <0.00500nMAssay Description:Binding affinity to drug-resistant HIV-1 protease I50V/A71V mutant expressed in Escherichia coli TAP-106 cells assessed as inhibition constant using ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)