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Attributes

UniProt ID
Protein Name
Gag-Pol polyprotein
Ligand Name
methyl N-[(2S)-1-[2-[[4-[(3S)-3,4-dihydrothiophen-3-yl]phenyl]methyl]-2-[3-[(3Z,8S,11R)-11-oxidanyl-7,10-bis(oxidanylidene)-8-propan-2-yl-6,9-diazabicyclo[11.2.2]heptadeca-1(16),3,13(17),14-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
CCIGJYBWBZXKTK-ZFOWIRSQSA-N
SMILES
CC(C)C1C(=O)NCC=CCc2ccc(cc2)CC(C(=O)N1)(CCCN(Cc3ccc(cc3)C4CC=S=C4)NC(=O)C(C(C)(C)C)NC(=O)OC)O
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 4CPU
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Color Legend
Unassigned regionsLigand / hetero atomse4cpuA1e4cpuB1
ECOD domains from experimental PDB structures interacting with ligand V78
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P03366n/aV784cpue4cpuA1A:1-99
P03366n/aV784cpue4cpuB1B:101-199
P03366n/aV784cpwe4cpwA1A:1-99
P03366n/aV784cpwe4cpwB1B:101-199