Attributes
UniProt ID
Protein Name
E3 ubiquitin-protein ligase XIAP
Ligand Name
(3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-7-(aminomethyl)-N-(diphenylmethyl)-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
XXJHZERDDCOFPK-FCRIMTMASA-N
SMILES
CCC(C(=O)NC1C(CCC2CCC(N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)CN)N
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 3CM2
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Color Legend
Unassigned regionsLigand / hetero atomse3cm2A1e3cm2B1e3cm2C1e3cm2D1e3cm2E1e3cm2F1e3cm2G1e3cm2H1e3cm2I1e3cm2J1
ECOD domains from experimental PDB structures interacting with ligand X23
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P98170 | n/a | X23 | 3cm2 | e3cm2A1 | A:253-355 |
| P98170 | n/a | X23 | 3cm2 | e3cm2B1 | B:253-355 |
| P98170 | n/a | X23 | 3cm2 | e3cm2C1 | C:253-354 |
| P98170 | n/a | X23 | 3cm2 | e3cm2D1 | D:254-355 |
| P98170 | n/a | X23 | 3cm2 | e3cm2E1 | E:254-355 |
| P98170 | n/a | X23 | 3cm2 | e3cm2F1 | F:253-355 |
| P98170 | n/a | X23 | 3cm2 | e3cm2G1 | G:254-355 |
| P98170 | n/a | X23 | 3cm2 | e3cm2H1 | H:254-355 |
| P98170 | n/a | X23 | 3cm2 | e3cm2I1 | I:254-355 |
| P98170 | n/a | X23 | 3cm2 | e3cm2J1 | J:254-356 |