DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
E3 ubiquitin-protein ligase XIAP
Ligand Name
1-[6-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-[[(3~{R})-3-methylmorpholin-4-yl]methyl]piperazin-4-ium-1-yl]ethanone
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
YCXOHEXZVKOGEV-DNRQZRRGSA-O
SMILES
CC1CN(C(C[NH2+]1)CN2CCOCC2C)CC(=O)N3CC(c4c3cc(c(n4)CO)Cc5ccc(cc5)F)(C)C
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 5OQW
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Color Legend
Unassigned regionsLigand / hetero atomse5oqwA1e5oqwB1
ECOD domains from experimental PDB structures interacting with ligand A4E
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P98170n/aA4E5oqwe5oqwA1A:249-354
P98170n/aA4E5oqwe5oqwB1B:248-354