Attributes
UniProt ID
Protein Name
1,4-dihydroxy-2-naphthoyl-CoA synthase
Ligand Name
Salicylyl CoA
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
YTKKDFTVSNSVEE-TYHXJLICSA-N
SMILES
CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)c4ccccc4O)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 4I4Z
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Color Legend
Unassigned regionsLigand / hetero atomse4i4zA1e4i4zB1e4i4zC1e4i4zD1e4i4zE1e4i4zF1e4i4zG1e4i4zH1e4i4zI1
ECOD domains from experimental PDB structures interacting with ligand 2NE
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P73495 | n/a | 2NE | 4i4z | e4i4zA1 | A:1-275 |
| P73495 | n/a | 2NE | 4i4z | e4i4zB1 | B:1-274 |
| P73495 | n/a | 2NE | 4i4z | e4i4zC1 | C:1-275 |
| P73495 | n/a | 2NE | 4i4z | e4i4zD1 | D:1-275 |
| P73495 | n/a | 2NE | 4i4z | e4i4zE1 | E:1-275 |
| P73495 | n/a | 2NE | 4i4z | e4i4zF1 | F:1-275 |
| P73495 | n/a | 2NE | 4i4z | e4i4zG1 | G:1-275 |
| P73495 | n/a | 2NE | 4i4z | e4i4zH1 | H:1-275 |
| P73495 | n/a | 2NE | 4i4z | e4i4zI1 | I:1-275 |