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Attributes

UniProt ID
Protein Name
E3 ubiquitin-protein ligase XIAP
Ligand Name
1-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-c]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-[(4-methylpyrazol-1-yl)methyl]piperazin-4-ium-1-yl]ethanone
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
CLHWAAAYYHMVJX-ZJSXRUAMSA-O
SMILES
Cc1cnn(c1)CC2C[NH2+]C(CN2CC(=O)N3CC(c4c3cc(nc4)Cc5ccccc5)(C)C)C
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 5M6E
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Color Legend
Unassigned regionsLigand / hetero atomse5m6eA1
ECOD domains from experimental PDB structures interacting with ligand 7HT
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P98170n/a7HT5m6ee5m6eA1A:248-353