DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Gag-Pol polyprotein
Ligand Name
1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL-CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]-4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE-2-CARB OXYLIC ACID TERT-BUTYLAMIDE
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
ITUWYDLENJLLBB-FJPQDTJVSA-N
SMILES
CC1CCC(C1NC(=O)C(Cc2ccccc2)CC(CN3CCN(CC3C(=O)NC(C)(C)C)C(=O)CCc4cccnc4)O)O
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 2BPV
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Color Legend
Unassigned regionsLigand / hetero atomse2bpvA1e2bpvB1
ECOD domains from experimental PDB structures interacting with ligand 1IN
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P04587n/a1IN2bpve2bpvA1A:1-99
P04587n/a1IN2bpve2bpvB1B:1-99
P04587n/a1IN2bpwe2bpwA1A:1-99
P04587n/a1IN2bpwe2bpwB1B:1-99