Attributes
UniProt ID
Protein Name
Beta-hydroxyacid dehydrogenase, 3-hydroxyisobutyrate dehydrogenase
Ligand Name
5-[2,5-bis(fluoranyl)phenyl]-3,4-dihydro-2~{H}-pyrrole
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
QIZHVCUPPAMGIW-UHFFFAOYSA-N
SMILES
c1cc(c(cc1F)C2=NCCC2)F
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 7Y8L
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Color Legend
Unassigned regionsLigand / hetero atomse7y8lA1e7y8lA2e7y8lB1e7y8lB2e7y8lC1e7y8lC2e7y8lD1e7y8lD2
ECOD domains from experimental PDB structures interacting with ligand 4IS
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| E2PUR9 | n/a | 4IS | 7y8l | e7y8lA1 | A:3-160 |
| E2PUR9 | n/a | 4IS | 7y8l | e7y8lA2 | A:161-289 |
| E2PUR9 | n/a | 4IS | 7y8l | e7y8lB1 | B:161-289 |
| E2PUR9 | n/a | 4IS | 7y8l | e7y8lB2 | B:3-160 |
| E2PUR9 | n/a | 4IS | 7y8l | e7y8lC1 | C:161-288 |
| E2PUR9 | n/a | 4IS | 7y8l | e7y8lD1 | D:4-160 |
| E2PUR9 | n/a | 4IS | 7y8l | e7y8lD2 | D:161-288 |
| E2PUR9 | n/a | 4IS | 7y8n | e7y8nA1 | A:161-290 |
| E2PUR9 | n/a | 4IS | 7y8n | e7y8nA2 | A:4-160 |
| E2PUR9 | n/a | 4IS | 7y8n | e7y8nB2 | B:161-290 |