DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Integrase
Ligand Name
(2-{[3-(4-{2-[(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzene-1-carbonyl)amino]ethyl}piperazine-1-carbonyl)phenyl]ethynyl}-5-methyl-1-benzofuran-3-yl)acetic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
FKZRCFVPEMPOMA-UHFFFAOYSA-N
SMILES
Cc1ccc2c(c1)c(c(o2)C#Cc3cccc(c3)C(=O)NCCN4CCN(CC4)C(=O)c5cccc(c5)C#Cc6c(c7cc(ccc7o6)C)CC(=O)O)CC(=O)O
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 6VLH
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Color Legend
Unassigned regionsLigand / hetero atomse6vlhA1e6vlhB1
ECOD domains from experimental PDB structures interacting with ligand R2A
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
F2WR39n/aR2A6vlhe6vlhA1A:56-207
F2WR39n/aR2A6vlhe6vlhB1B:56-208