Attributes
UniProt ID
Protein Name
3-hydroxyacyl- dehydratase
Ligand Name
5-chloro-8-[(3-chlorobenzyl)oxy]quinoline
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
BIHPUIBBWFPTCY-UHFFFAOYSA-N
SMILES
c1cc(cc(c1)Cl)COc2ccc(c3c2nccc3)Cl
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 3AZB
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Color Legend
Unassigned regionsLigand / hetero atomse3azbA2e3azbB2e3azbC2e3azbD2e3azbE2e3azbF2e3azbG2e3azbH2e3azbI2e3azbJ2e3azbK2e3azbL2e3azbM2e3azbN2e3azbO2e3azbP2e3azbQ2e3azbR2e3azbS2e3azbT2e3azbU2e3azbV2e3azbW2e3azbX2
ECOD domains from experimental PDB structures interacting with ligand KM1
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| Q965D7 | n/a | KM1 | 3azb | e3azbC2 | C:85-228 |
| Q965D7 | n/a | KM1 | 3azb | e3azbD2 | D:84-227 |
| Q965D7 | n/a | KM1 | 3azb | e3azbG2 | G:84-229 |
| Q965D7 | n/a | KM1 | 3azb | e3azbH2 | H:85-229 |
| Q965D7 | n/a | KM1 | 3azb | e3azbI2 | I:86-228 |
| Q965D7 | n/a | KM1 | 3azb | e3azbJ2 | J:84-227 |
| Q965D7 | n/a | KM1 | 3azb | e3azbO2 | O:85-228 |
| Q965D7 | n/a | KM1 | 3azb | e3azbP2 | P:84-227 |