Attributes
UniProt ID
Protein Name
E3 ubiquitin-protein ligase XIAP
Ligand Name
(3S,6S,7S,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-N-(diphenylmethyl)-7-(hydroxymethyl)-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
WXYVFFGXHFXTLU-FCRIMTMASA-N
SMILES
CCC(C(=O)NC1C(CCC2CCC(N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)CO)N
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 3CLX
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Color Legend
Unassigned regionsLigand / hetero atomse3clxA1e3clxB1e3clxC1e3clxD1
ECOD domains from experimental PDB structures interacting with ligand X22
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P98170 | n/a | X22 | 3clx | e3clxA1 | A:256-354 |
| P98170 | n/a | X22 | 3clx | e3clxB1 | B:254-354 |
| P98170 | n/a | X22 | 3clx | e3clxC1 | C:256-353 |
| P98170 | n/a | X22 | 3clx | e3clxD1 | D:254-354 |
| P98170 | n/a | X22 | 3cm7 | e3cm7A1 | A:254-354 |
| P98170 | n/a | X22 | 3cm7 | e3cm7B1 | B:255-355 |
| P98170 | n/a | X22 | 3cm7 | e3cm7C1 | C:253-354 |
| P98170 | n/a | X22 | 3cm7 | e3cm7D1 | D:254-353 |