Attributes
UniProt ID
Protein Name
Vicilin Car i 2.0101
Ligand Name
(4S)-2-METHYL-2,4-PENTANEDIOL
DrugBank ID
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
SVTBMSDMJJWYQN-YFKPBYRVSA-N
SMILES
CC(CC(C)(C)O)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 5E1R
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Color Legend
Unassigned regionsLigand / hetero atomse5e1rA1e5e1rA2e5e1rB1e5e1rB2e5e1rC1e5e1rC2e5e1rD1e5e1rD2e5e1rE1e5e1rE2e5e1rF1e5e1rF2
ECOD domains from experimental PDB structures interacting with ligand DB03564
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| B3STU4 | DB03564 | MPD | 5e1r | e5e1rA1 | A:577-655,A:678-771 |
| B3STU4 | DB03564 | MPD | 5e1r | e5e1rB2 | B:577-654,B:678-769 |
| B3STU4 | DB03564 | MPD | 5e1r | e5e1rC2 | C:577-654,C:678-771 |
| B3STU4 | DB03564 | MPD | 5e1r | e5e1rD2 | D:577-655,D:678-769 |
| B3STU4 | DB03564 | MPD | 5e1r | e5e1rE2 | E:577-655,E:678-771 |
| B3STU4 | DB03564 | MPD | 5e1r | e5e1rF2 | F:577-655,F:678-771 |