Attributes
UniProt ID
Protein Name
E3 ubiquitin-protein ligase XIAP
Ligand Name
(3S,7R,8aR)-2-{(2S)-2-(4,4-difluorocyclohexyl)-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-ethoxyoctahydropyrrolo[1,2-a]pyrazine-3-carboxamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
WQLHYSFOEZZZDD-QAPMSZJWSA-N
SMILES
CCOC1CC2CN(C(CN2C1)C(=O)NC3CCOc4c3cccc4)C(=O)C(C5CCC(CC5)(F)F)NC(=O)C(C)NC
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 4HY0
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Color Legend
Unassigned regionsLigand / hetero atomse4hy0A2e4hy0B2e4hy0C2e4hy0D1e4hy0E2e4hy0F2e4hy0G2e4hy0H2
ECOD domains from experimental PDB structures interacting with ligand 1AQ
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P98170 | n/a | 1AQ | 4hy0 | e4hy0A2 | A:254-349 |
| P98170 | n/a | 1AQ | 4hy0 | e4hy0B2 | B:254-349 |
| P98170 | n/a | 1AQ | 4hy0 | e4hy0C2 | C:254-350 |
| P98170 | n/a | 1AQ | 4hy0 | e4hy0D1 | D:254-351 |
| P98170 | n/a | 1AQ | 4hy0 | e4hy0E2 | E:254-349 |
| P98170 | n/a | 1AQ | 4hy0 | e4hy0F2 | F:254-349 |
| P98170 | n/a | 1AQ | 4hy0 | e4hy0G2 | G:254-351 |
| P98170 | n/a | 1AQ | 4hy0 | e4hy0H2 | H:254-349 |