DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Replicase polyprotein 1ab
Ligand Name
(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-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
BKEPDWNBCUBDEN-KOUJMVCDSA-N
SMILES
CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)NC(CC3CCNC3=O)CO)C
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 7S6W
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Color Legend
Unassigned regionsLigand / hetero atomse7s6wA1e7s6wA2e7s6wB1e7s6wB2
ECOD domains from experimental PDB structures interacting with ligand 8G9
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P0DTD1n/a8G97s6we7s6wA1A:1-186
P0DTD1n/a8G97s6we7s6wA2A:187-306
P0DTD1n/a8G97s6we7s6wB1B:187-306
P0DTD1n/a8G97s6we7s6wB2B:1-186