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Attributes

UniProt ID
Protein Name
Replicase polyprotein 1ab
Ligand Name
(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(3-methyl-1,1-dioxo-1lambda~6~-thietan-3-yl)methanesulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
NHHHIEXFSUFQCS-OAQYLSRUSA-N
SMILES
CC1(CS(=O)(=O)C1)CS(=O)(=O)N2Cc3ccc(cc3C(C2)C(=O)Nc4cncc5c4cccc5)Cl
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 7GLJ
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Color Legend
Unassigned regionsLigand / hetero atomse7gljA1e7gljA2e7gljB1e7gljB2
ECOD domains from experimental PDB structures interacting with ligand R9R
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P0DTD1n/aR9R7glje7gljA1A:1-186
P0DTD1n/aR9R7glje7gljA2A:187-305
P0DTD1n/aR9R7glje7gljB1B:187-305
P0DTD1n/aR9R7glje7gljB2B:1-186