Attributes
UniProt ID
Protein Name
NADP-dependent malic enzyme
Ligand Name
6-[(7-methyl-2-propyl-imidazo[4,5-b]pyridin-4-yl)methyl]-2-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]-1,3-benzothiazole
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
LGDMZWWVVLGYPR-UHFFFAOYSA-N
SMILES
CCCc1nc-2c(ccn(c2n1)Cc3ccc4c(c3)sc(n4)c5ccccc5c6[nH]nnn6)C
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 7X11
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Color Legend
Unassigned regionsLigand / hetero atomse7x11A1e7x11A2e7x11A3e7x11B1e7x11B2e7x11B3e7x11C1e7x11C2e7x11C3e7x11D1e7x11D2e7x11D3
ECOD domains from experimental PDB structures interacting with ligand 86I
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P48163 | n/a | 86I | 7x11 | e7x11A1 | A:16-279 |
| P48163 | n/a | 86I | 7x11 | e7x11A2 | A:280-463 |
| P48163 | n/a | 86I | 7x11 | e7x11A3 | A:464-579 |
| P48163 | n/a | 86I | 7x11 | e7x11B1 | B:464-579 |
| P48163 | n/a | 86I | 7x11 | e7x11B2 | B:280-463 |
| P48163 | n/a | 86I | 7x11 | e7x11B3 | B:16-279 |
| P48163 | n/a | 86I | 7x11 | e7x11C1 | C:280-463 |
| P48163 | n/a | 86I | 7x11 | e7x11C2 | C:16-279 |
| P48163 | n/a | 86I | 7x11 | e7x11C3 | C:464-579 |
| P48163 | n/a | 86I | 7x11 | e7x11D1 | D:280-463 |
| P48163 | n/a | 86I | 7x11 | e7x11D2 | D:464-579 |
| P48163 | n/a | 86I | 7x11 | e7x11D3 | D:16-279 |