Attributes
UniProt ID
Protein Name
E3 ubiquitin-protein ligase XIAP
Ligand Name
(3~{S},6~{S},7~{S},9~{a}~{S})-~{N}-[(4-~{tert}-butylphenyl)methyl]-7-(hydroxymethyl)-6-[[(2~{S})-2-(methylamino)butanoyl]amino]-5-oxidanylidene-1,2,3,6,7,8,9,9~{a}-octahydropyrrolo[1,2-a]azepine-3-carboxamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
NJWOUDIHXORURQ-PMAMDCHESA-N
SMILES
CCC(C(=O)NC1C(CCC2CCC(N2C1=O)C(=O)NCc3ccc(cc3)C(C)(C)C)CO)NC
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 6EY2
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Color Legend
Unassigned regionsLigand / hetero atomse6ey2A1e6ey2B1e6ey2C1e6ey2D1e6ey2E1e6ey2F1e6ey2G1e6ey2H1
ECOD domains from experimental PDB structures interacting with ligand C3T
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P98170 | n/a | C3T | 6ey2 | e6ey2A1 | A:254-352 |
| P98170 | n/a | C3T | 6ey2 | e6ey2B1 | B:254-351 |
| P98170 | n/a | C3T | 6ey2 | e6ey2C1 | C:254-352 |
| P98170 | n/a | C3T | 6ey2 | e6ey2D1 | D:254-354 |
| P98170 | n/a | C3T | 6ey2 | e6ey2E1 | E:253-352 |
| P98170 | n/a | C3T | 6ey2 | e6ey2F1 | F:254-354 |
| P98170 | n/a | C3T | 6ey2 | e6ey2G1 | G:254-353 |
| P98170 | n/a | C3T | 6ey2 | e6ey2H1 | H:254-352 |