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
n/a
PubChem ID
n/a
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
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 4EC4
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Color Legend
Unassigned regionsLigand / hetero atomse4ec4A1e4ec4B2e4ec4C1e4ec4D1e4ec4E2e4ec4F1e4ec4G2e4ec4J2e4ec4K2e4ec4L2
ECOD domains from experimental PDB structures interacting with ligand 0O6
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P98170 | n/a | 0O6 | 4ec4 | e4ec4A1 | A:246-354 |
| P98170 | n/a | 0O6 | 4ec4 | e4ec4B2 | B:248-353 |
| P98170 | n/a | 0O6 | 4ec4 | e4ec4C1 | C:241-345 |
| P98170 | n/a | 0O6 | 4ec4 | e4ec4D1 | D:241-345 |
| P98170 | n/a | 0O6 | 4ec4 | e4ec4E2 | E:246-353 |
| P98170 | n/a | 0O6 | 4ec4 | e4ec4F1 | F:241-345 |
| P98170 | n/a | 0O6 | 4ec4 | e4ec4G2 | G:247-353 |
| P98170 | n/a | 0O6 | 4ec4 | e4ec4J2 | J:246-353 |
| P98170 | n/a | 0O6 | 4ec4 | e4ec4K2 | K:246-352 |
| P98170 | n/a | 0O6 | 4ec4 | e4ec4L2 | L:247-353 |