Attributes
UniProt ID
Protein Name
Chalcone isomerase
Ligand Name
4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
DrugBank ID
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
JKMHFZQWWAIEOD-UHFFFAOYSA-N
SMILES
C1CN(CCN1CCO)CCS(=O)(=O)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 8B7Z
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Color Legend
Unassigned regionsLigand / hetero atomse8b7zA1e8b7zA2e8b7zB1e8b7zB2e8b7zC1e8b7zC2e8b7zD1e8b7zD2e8b7zE1e8b7zE2e8b7zF1e8b7zF2e8b7zG1e8b7zG2e8b7zH1e8b7zH2e8b7zI1e8b7zI2e8b7zJ1e8b7zJ2e8b7zK1e8b7zK2e8b7zL1e8b7zL2e8b7zM1e8b7zM2e8b7zN1e8b7zN2e8b7zO1e8b7zO2e8b7zP1e8b7zP2e8b7zQ1e8b7zQ2e8b7zR1e8b7zR2
ECOD domains from experimental PDB structures interacting with ligand DB16872
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| V9P0A9 | DB16872 | EPE | 8b7z | e8b7zA2 | A:144-282 |
| V9P0A9 | DB16872 | EPE | 8b7z | e8b7zJ1 | J:144-282 |
| V9P0A9 | DB16872 | EPE | 8b7z | e8b7zM2 | M:1-107,M:130-143 |
| V9P0A9 | DB16872 | EPE | 8b7z | e8b7zN1 | N:144-282 |
| V9P0A9 | DB16872 | EPE | 8b7z | e8b7zO2 | O:144-282 |
| V9P0A9 | DB16872 | EPE | 8b7z | e8b7zP1 | P:1-106,P:131-143 |
| V9P0A9 | DB16872 | EPE | 8b7z | e8b7zP2 | P:144-282 |