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Attributes

UniProt ID
Protein Name
Gag-Pol polyprotein
Ligand Name
5-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}pyrimidin-2-yl)amino]-2-[4-(methanesulfonyl)piperazin-1-yl]benzonitrile
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
MMKBLGUSICHJOZ-SNAWJCMRSA-N
SMILES
Cc1cc(cc(c1Oc2ccnc(n2)Nc3ccc(c(c3)C#N)N4CCN(CC4)S(=O)(=O)C)C)C=CC#N
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 8FE8
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Color Legend
Unassigned regionsLigand / hetero atomse8fe8A1e8fe8A2e8fe8A3e8fe8A4e8fe8B1e8fe8B2e8fe8B3
ECOD domains from experimental PDB structures interacting with ligand XRB
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P03366n/aXRB8fe8e8fe8A2A:317-428
P03366n/aXRB8fe8e8fe8A4A:-1-239
P03366n/aXRB8fe8e8fe8B2B:4-241