Attributes
UniProt ID
Protein Name
Cocaine esterase
Ligand Name
(4S,5S)-4,5-BIS(MERCAPTOMETHYL)-1,3-DIOXOLAN-2-OL
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
URSOFHABYVLXDS-QWWZWVQMSA-N
SMILES
C(C1C(OC(O1)O)CS)S
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 3I2F
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Color Legend
Unassigned regionsLigand / hetero atomse3i2fA1e3i2fA2
ECOD domains from experimental PDB structures interacting with ligand DBC
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| Q9L9D7 | n/a | DBC | 3i2f | e3i2fA1 | A:352-574 |
| Q9L9D7 | n/a | DBC | 3i2f | e3i2fA2 | A:2-351 |
| Q9L9D7 | n/a | DBC | 3i2g | e3i2gA1 | A:352-575 |
| Q9L9D7 | n/a | DBC | 3i2g | e3i2gA2 | A:2-351 |
| Q9L9D7 | n/a | DBC | 3i2h | e3i2hA1 | A:352-575 |
| Q9L9D7 | n/a | DBC | 3i2h | e3i2hA2 | A:2-351 |
| Q9L9D7 | n/a | DBC | 3i2i | e3i2iA1 | A:352-574 |
| Q9L9D7 | n/a | DBC | 3i2i | e3i2iA2 | A:2-351 |
| Q9L9D7 | n/a | DBC | 3i2k | e3i2kA1 | A:352-575 |
| Q9L9D7 | n/a | DBC | 3i2k | e3i2kA2 | A:2-351 |
| Q9L9D7 | n/a | DBC | 3ida | e3idaA1 | A:352-575 |
| Q9L9D7 | n/a | DBC | 3ida | e3idaA2 | A:4-351 |