Attributes
UniProt ID
Protein Name
L-lactate dehydrogenase A chain
Ligand Name
1-O-[3-(5-carboxypyridin-2-yl)-5-fluorophenyl]-6-O-[4-({[(5-carboxypyridin-2-yl)sulfanyl]acetyl}amino)-2-chloro-5-methoxyphenyl]-D-mannitol
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
HTDBANWISVPXTR-KWINWIPXSA-N
SMILES
COc1cc(c(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl)OCC(C(C(C(COc3cc(cc(c3)F)c4ccc(cn4)C(=O)O)O)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: 4I9H
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Color Legend
Unassigned regionsLigand / hetero atomse4i9hA1e4i9hA2e4i9hB1e4i9hB2e4i9hC2e4i9hC3e4i9hD2e4i9hD3e4i9hE1e4i9hE2e4i9hF1e4i9hF2e4i9hG1e4i9hG4e4i9hH1e4i9hH2
ECOD domains from experimental PDB structures interacting with ligand 1E4
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P13491 | n/a | 1E4 | 4i9h | e4i9hA1 | A:160-331 |
| P13491 | n/a | 1E4 | 4i9h | e4i9hA2 | A:1-151 |
| P13491 | n/a | 1E4 | 4i9h | e4i9hB1 | B:160-331 |
| P13491 | n/a | 1E4 | 4i9h | e4i9hB2 | B:1-153 |
| P13491 | n/a | 1E4 | 4i9h | e4i9hC2 | C:1-154 |
| P13491 | n/a | 1E4 | 4i9h | e4i9hC3 | C:160-331 |
| P13491 | n/a | 1E4 | 4i9h | e4i9hD2 | D:1-157 |
| P13491 | n/a | 1E4 | 4i9h | e4i9hD3 | D:160-331 |
| P13491 | n/a | 1E4 | 4i9h | e4i9hE1 | E:160-331 |
| P13491 | n/a | 1E4 | 4i9h | e4i9hE2 | E:1-157 |
| P13491 | n/a | 1E4 | 4i9h | e4i9hF1 | F:160-331 |
| P13491 | n/a | 1E4 | 4i9h | e4i9hF2 | F:1-155 |
| P13491 | n/a | 1E4 | 4i9h | e4i9hG1 | G:160-331 |
| P13491 | n/a | 1E4 | 4i9h | e4i9hG4 | G:1-159 |
| P13491 | n/a | 1E4 | 4i9h | e4i9hH1 | H:160-331 |
| P13491 | n/a | 1E4 | 4i9h | e4i9hH2 | H:1-155 |