Attributes
UniProt ID
Protein Name
Fatty acid CoA ligase
Ligand Name
1-ethanoyl-9~{H}-pyrido[3,4-b]indole-3-carboxylic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
RMLMLEMGHAUXDM-UHFFFAOYSA-N
SMILES
CC(=O)c1c2c(cc(n1)C(=O)O)c3ccccc3[nH]2
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 6H1B
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Color Legend
Unassigned regionsLigand / hetero atomse6h1bA1e6h1bA2e6h1bA3e6h1bA4e6h1bB1e6h1bB2e6h1bB3e6h1bB4e6h1bC1e6h1bC2e6h1bC3e6h1bC4e6h1bD1e6h1bD2e6h1bD3e6h1bD4e6h1bE1e6h1bE2e6h1bE3e6h1bE4
ECOD domains from experimental PDB structures interacting with ligand EQ2
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| R4R1U5 | n/a | EQ2 | 6h1b | e6h1bA4 | A:147-313 |
| R4R1U5 | n/a | EQ2 | 6h1b | e6h1bB2 | B:147-313 |
| R4R1U5 | n/a | EQ2 | 6h1b | e6h1bC4 | C:147-313 |
| R4R1U5 | n/a | EQ2 | 6h1b | e6h1bD1 | D:147-313 |
| R4R1U5 | n/a | EQ2 | 6h1b | e6h1bE1 | E:147-313 |
| R4R1U5 | n/a | EQ2 | 6h1b | e6h1bE4 | E:393-495 |
| R4R1U5 | n/a | EQ2 | 6sq8 | e6sq8A1 | A:393-494 |
| R4R1U5 | n/a | EQ2 | 6sq8 | e6sq8A4 | A:147-313 |
| R4R1U5 | n/a | EQ2 | 6sq8 | e6sq8B1 | B:391-495 |
| R4R1U5 | n/a | EQ2 | 6sq8 | e6sq8B3 | B:145-311 |
| R4R1U5 | n/a | EQ2 | 6sq8 | e6sq8C2 | C:391-495 |
| R4R1U5 | n/a | EQ2 | 6sq8 | e6sq8C3 | C:145-311 |
| R4R1U5 | n/a | EQ2 | 6sq8 | e6sq8D3 | D:147-313 |
| R4R1U5 | n/a | EQ2 | 6sq8 | e6sq8D4 | D:393-494 |
| R4R1U5 | n/a | EQ2 | 6sq8 | e6sq8E2 | E:145-311 |
| R4R1U5 | n/a | EQ2 | 6sq8 | e6sq8E3 | E:391-495 |