(3S,6S,7S,9aS,3'S,6'S,7'S,9a'S)-N,N'-(benzene-1,4-diylbis{butane-4,1-diyl-1H-1,2,3-triazole-1,4-diyl[(S)-phenylmethanediyl]})bis[7-(hydroxymethyl)-6-{[(2S)-2-(methylamino)butanoyl]amino}-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide]
P98170 — E3 ubiquitin-protein ligase XIAP
Attributes
UniProt ID
Protein Name
E3 ubiquitin-protein ligase XIAP
Ligand Name
(3S,6S,7S,9aS,3'S,6'S,7'S,9a'S)-N,N'-(benzene-1,4-diylbis{butane-4,1-diyl-1H-1,2,3-triazole-1,4-diyl[(S)-phenylmethanediyl]})bis[7-(hydroxymethyl)-6-{[(2S)-2-(methylamino)butanoyl]amino}-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide]
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
PubChem ID
InChIKey
XKEIDWZKJDOBEL-OKDMWEIPSA-N
SMILES
CCC(C(=O)NC1C(CCC2CCC(N2C1=O)C(=O)NC(c3ccccc3)c4cn(nn4)CCCCc5ccc(cc5)CCCCn6cc(nn6)C(c7ccccc7)NC(=O)C8CCC9N8C(=O)C(C(CC9)CO)NC(=O)C(CC)NC)CO)NC
Drug Action
No data available
Affinity Metrics
No affinity data available