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Attributes

UniProt ID
Protein Name
Cathepsin S
Ligand Name
(2~{R})-~{N}-(2-azanylideneethyl)-2-[2-(3-methyl-1,2-oxazol-5-yl)ethanoylamino]-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-propanamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
RJJWMSGSKPHRAN-NEEXXPDWSA-N
SMILES
Cc1cc(on1)CC(=O)NC(CS(=O)(=O)N2CCN(CC2)c3ccccn3)C(=O)NCC=N
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 6YYR
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Color Legend
Unassigned regionsLigand / hetero atomse6yyrAAA1e6yyrBBB1
ECOD domains from experimental PDB structures interacting with ligand Q1N
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P25774n/aQ1N6yyre6yyrAAA1AAA:-1-218
P25774n/aQ1N6yyre6yyrBBB1BBB:-1-218