Attributes
UniProt ID
Protein Name
Tumor necrosis factor
Ligand Name
8-[4-(2-{5-[(4-methylpiperazin-1-yl)methyl]-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)phenoxy}ethyl)phenyl]isoquinoline
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
KOBJJEIVOKWSMI-UHFFFAOYSA-N
SMILES
CN1CCN(CC1)Cc2ccc(c(c2)OCCc3ccc(cc3)c4cccc5c4cncc5)c6c[nH]c7c6cncc7
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 6X82
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Color Legend
Unassigned regionsLigand / hetero atomse6x82A1e6x82B1e6x82C1e6x82D1e6x82E1e6x82F1
ECOD domains from experimental PDB structures interacting with ligand UTM