Attributes
UniProt ID
Protein Name
Type II pantothenate kinase
Ligand Name
N-[2-(1,3-benzodioxol-5-yl)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
OQCPPROGRWYIDC-INIZCTEOSA-N
SMILES
CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCc1ccc2c(c1)OCO2)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 4NB4
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Color Legend
Unassigned regionsLigand / hetero atomse4nb4A1e4nb4A2e4nb4B1e4nb4B2e4nb4C1e4nb4C2e4nb4D1e4nb4D2e4nb4E1e4nb4E2e4nb4F1e4nb4F2e4nb4G1e4nb4G2e4nb4H1e4nb4H2
ECOD domains from experimental PDB structures interacting with ligand SH3
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| Q6G7I0 | n/a | SH3 | 4nb4 | e4nb4A1 | A:89-267 |
| Q6G7I0 | n/a | SH3 | 4nb4 | e4nb4B1 | B:89-266 |
| Q6G7I0 | n/a | SH3 | 4nb4 | e4nb4B2 | B:1-88 |
| Q6G7I0 | n/a | SH3 | 4nb4 | e4nb4C1 | C:89-267 |
| Q6G7I0 | n/a | SH3 | 4nb4 | e4nb4D1 | D:89-265 |
| Q6G7I0 | n/a | SH3 | 4nb4 | e4nb4D2 | D:1-88 |
| Q6G7I0 | n/a | SH3 | 4nb4 | e4nb4E1 | E:89-266 |
| Q6G7I0 | n/a | SH3 | 4nb4 | e4nb4E2 | E:1-88 |
| Q6G7I0 | n/a | SH3 | 4nb4 | e4nb4F1 | F:89-265 |
| Q6G7I0 | n/a | SH3 | 4nb4 | e4nb4F2 | F:1-88 |
| Q6G7I0 | n/a | SH3 | 4nb4 | e4nb4G1 | G:89-267 |
| Q6G7I0 | n/a | SH3 | 4nb4 | e4nb4G2 | G:1-88 |
| Q6G7I0 | n/a | SH3 | 4nb4 | e4nb4H1 | H:89-266 |
| Q6G7I0 | n/a | SH3 | 4nb4 | e4nb4H2 | H:0-88 |