DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Capsid protein
Ligand Name
methyl (4R)-4-(2-chloro-4-fluorophenyl)-6-{[4-(3-hydroxypenta-1,4-diyn-3-yl)piperidin-1-yl]methyl}-2-(pyridin-2-yl)-1,4-dihydropyrimidine-5-carboxylate
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
GKZRJYVILONFJM-UHFFFAOYSA-N
SMILES
COC(=O)C1=C(NC(=NC1c2ccc(cc2Cl)F)c3ccccn3)CN4CCC(CC4)C(C#C)(C#C)O
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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

Structure: 5D7Y
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Color Legend
Unassigned regionsLigand / hetero atomse5d7yA1e5d7yB1e5d7yC1e5d7yD1
ECOD domains from experimental PDB structures interacting with ligand 58H
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P03147n/a58H5d7ye5d7yB1B:1-143
P03147n/a58H5d7ye5d7yC1C:1-142