DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Replicase polyprotein 1ab
Ligand Name
(1R,2S,5S)-N-{(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
ZWFVHGRPHWFQQC-QLJGKSERSA-N
SMILES
CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)NC(CC3CCNC3=O)C(=O)c4nc5ccccc5s4)C
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 8GFN
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Color Legend
Unassigned regionsLigand / hetero atomse8gfnA1e8gfnA2e8gfnB1e8gfnB2
ECOD domains from experimental PDB structures interacting with ligand ZGI
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P0DTD1n/aZGI8gfne8gfnA1A:1-186
P0DTD1n/aZGI8gfne8gfnA2A:187-301
P0DTD1n/aZGI8gfne8gfnB1B:187-302
P0DTD1n/aZGI8gfne8gfnB2B:1-186