Attributes
UniProt ID
Protein Name
E3 ubiquitin-protein ligase XIAP
Ligand Name
1,1'-{hexa-2,4-diyne-1,6-diylbis[oxy{(2S,3R)-2-[(N-methyl-L-alanyl)amino]-1-oxobutane-3,1-diyl}(2S)pyrrolidine-1,2-diylmethanediyl]}bis[5-(phenylsulfanyl)-1H-tetrazole]
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
CDUYVSXKBIKUNH-RAUIGOKHSA-N
SMILES
CC(C(C(=O)N1CCCC1Cn2c(nnn2)Sc3ccccc3)NC(=O)C(C)NC)OCC#CC#CCOC(C)C(C(=O)N4CCCC4Cn5c(nnn5)Sc6ccccc6)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: 3G76
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Color Legend
Unassigned regionsLigand / hetero atomse3g76A1e3g76B1e3g76C1e3g76D1e3g76E1e3g76F1e3g76G1e3g76H1
ECOD domains from experimental PDB structures interacting with ligand CZ3
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P98170 | n/a | CZ3 | 3g76 | e3g76A1 | A:252-348 |
| P98170 | n/a | CZ3 | 3g76 | e3g76B1 | B:253-357 |
| P98170 | n/a | CZ3 | 3g76 | e3g76C1 | C:253-348 |
| P98170 | n/a | CZ3 | 3g76 | e3g76D1 | D:253-357 |
| P98170 | n/a | CZ3 | 3g76 | e3g76E1 | E:253-347 |
| P98170 | n/a | CZ3 | 3g76 | e3g76F1 | F:255-358 |
| P98170 | n/a | CZ3 | 3g76 | e3g76G1 | G:253-347 |
| P98170 | n/a | CZ3 | 3g76 | e3g76H1 | H:253-357 |