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Attributes

UniProt ID
Protein Name
Replicase polyprotein 1ab
Ligand Name
N-{3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propyl}-N'-[2-(morpholin-4-yl)ethyl]thiourea
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
DFOUYIHNRZAXAX-UHFFFAOYSA-N
SMILES
CN1c2c(nc([nH]2)SCCCNC(=S)NCCN3CCOCC3)C(=O)N(C1=O)C
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 7KXB
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Color Legend
Unassigned regionsLigand / hetero atomse7kxbA1
ECOD domains from experimental PDB structures interacting with ligand XB1
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P0DTD1n/aXB17kxbe7kxbA1A:3-167