Attributes
UniProt ID
Protein Name
Glutathione S-transferase A1
Ligand Name
(S)-2-amino-5-((R)-1-(carboxymethylamino)-3-((3S,4R)-1,4-dihydroxynonan-3-ylthio)-1-oxopropan-2-ylamino)-5-oxopentanoic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
CLEVVMDJDMEQKG-XQLPTFJDSA-N
SMILES
CCCCCC(C(CCO)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 3IK9
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Color Legend
Unassigned regionsLigand / hetero atomse3ik9A1e3ik9A2e3ik9B1e3ik9B2e3ik9C1e3ik9C2e3ik9D1e3ik9D2e3ik9E1e3ik9E2e3ik9F3e3ik9F4e3ik9G1e3ik9G2e3ik9H1e3ik9H2
ECOD domains from experimental PDB structures interacting with ligand BOB
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P08263 | n/a | BOB | 3ik9 | e3ik9A1 | A:81-220 |
| P08263 | n/a | BOB | 3ik9 | e3ik9A2 | A:2-80 |
| P08263 | n/a | BOB | 3ik9 | e3ik9B1 | B:81-222 |
| P08263 | n/a | BOB | 3ik9 | e3ik9B2 | B:2-80 |
| P08263 | n/a | BOB | 3ik9 | e3ik9C1 | C:81-220 |
| P08263 | n/a | BOB | 3ik9 | e3ik9C2 | C:2-80 |
| P08263 | n/a | BOB | 3ik9 | e3ik9D1 | D:81-220 |
| P08263 | n/a | BOB | 3ik9 | e3ik9D2 | D:2-80 |
| P08263 | n/a | BOB | 3ik9 | e3ik9E1 | E:81-220 |
| P08263 | n/a | BOB | 3ik9 | e3ik9E2 | E:2-80 |
| P08263 | n/a | BOB | 3ik9 | e3ik9F3 | F:4-82 |
| P08263 | n/a | BOB | 3ik9 | e3ik9F4 | F:83-219 |
| P08263 | n/a | BOB | 3ik9 | e3ik9G1 | G:81-220 |
| P08263 | n/a | BOB | 3ik9 | e3ik9G2 | G:2-80 |
| P08263 | n/a | BOB | 3ik9 | e3ik9H1 | H:81-220 |
| P08263 | n/a | BOB | 3ik9 | e3ik9H2 | H:2-80 |