DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Genome polyprotein
Ligand Name
(5S)-5-tert-butyl-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-3-[8-(methylsulfonyl)-1,1-dioxido-6,7,8,9-tetrahydroisothiazolo[4,5-h]isoquinolin-3-yl]-1,5-dihydro-2H-pyrrol-2-one
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
YRWZNTIWOPXYQZ-RUZDIDTESA-N
SMILES
Cc1cc(ccc1F)CN2C(C(=C(C2=O)C3=NS(=O)(=O)c4c3ccc5c4CN(CC5)S(=O)(=O)C)O)C(C)(C)C
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

Interactive Mol* view for the current protein-molecule pair.

Structure: 3H5S
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Color Legend
Unassigned regionsLigand / hetero atomse3h5sA1e3h5sA2e3h5sB1e3h5sB2
ECOD domains from experimental PDB structures interacting with ligand H5S
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P26663n/aH5S3h5se3h5sA1A:353-562
P26663n/aH5S3h5se3h5sA2A:1-352
P26663n/aH5S3h5se3h5sB1B:353-562
P26663n/aH5S3h5se3h5sB2B:1-352