GRL-0617   Click here for help

GtoPdb Ligand ID: 11078

Synonyms: compound 25 [PMID: 19645480] | GRL0617
PDB Ligand
Compound class: Synthetic organic
Comment: GRL-0617 is an inhibitor of SARS-CoV and SARS-CoV-2 papain-like proteases (PL-pro) [2,4]. It is selective for the viral proteases over human proteases. GRL-0617 blocks both PL-pro-mediated actions towards host biological processes and virus replication [1].
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 55.12
Molecular weight 304.16
XLogP 4.55
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES Nc1ccc(c(c1)C(=O)N[C@@H](c1cccc2c1cccc2)C)C
Isomeric SMILES Nc1ccc(c(c1)C(=O)N[C@@H](c1cccc2c1cccc2)C)C
InChI InChI=1S/C20H20N2O/c1-13-10-11-16(21)12-19(13)20(23)22-14(2)17-9-5-7-15-6-3-4-8-18(15)17/h3-12,14H,21H2,1-2H3,(H,22,23)/t14-/m1/s1
InChI Key UVERBUNNCOKGNZ-CQSZACIVSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
Synonyms Click here for help
compound 25 [PMID: 19645480] | GRL0617
Database Links Click here for help
BindingDB Ligand 31524
ChEMBL Ligand CHEMBL549695
DrugBank Ligand DB08656
GtoPdb PubChem SID 434122139
PubChem CID 24941262
RCSB PDB Ligand TTT
Search Google for chemical match using the InChIKey UVERBUNNCOKGNZ-CQSZACIVSA-N
Search Google for chemicals with the same backbone UVERBUNNCOKGNZ
Search UniChem for chemical match using the InChIKey UVERBUNNCOKGNZ-CQSZACIVSA-N
Search UniChem for chemicals with the same backbone UVERBUNNCOKGNZ