DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Replicase polyprotein 1ab
Ligand Name
tert-butyl-N-[(2S)-1-[(2S,4S)-4-methoxy-2-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
AUPBHARHTRTBTF-ATIWLJMLSA-N
SMILES
CC(C)C(C(=O)N1CC(CC1C(=O)NC(CC2CCNC2=O)CO)OC)NC(=O)OC(C)(C)C
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 8OKL
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Color Legend
Unassigned regionsLigand / hetero atomse8oklA1e8oklA2e8oklB1e8oklB2
ECOD domains from experimental PDB structures interacting with ligand 83N
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P0DTD1n/a83N8okle8oklA1A:187-301
P0DTD1n/a83N8okle8oklA2A:1-186
P0DTD1n/a83N8okle8oklB1B:1-186
P0DTD1n/a83N8okle8oklB2B:187-306