DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Cathepsin S
Ligand Name
2-[1-(cyclohexylmethyl)piperidin-4-yl]-1-{3-[3-{[2-(4-fluoropiperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-(3-hydroxypropyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
HHMNMVKIYRQSRB-UHFFFAOYSA-N
SMILES
c1cc(c(cc1c2c3c(n(n2)CCCO)CCN(C3)C(=O)CC4CCN(CC4)CC5CCCCC5)SCCN6CCC(CC6)F)C(F)(F)F
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 5QC2
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Color Legend
Unassigned regionsLigand / hetero atomse5qc2A1e5qc2B1
ECOD domains from experimental PDB structures interacting with ligand BQP
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P25774n/aBQP5qc2e5qc2A1A:1-219
P25774n/aBQP5qc2e5qc2B1B:1-219