Attributes
UniProt ID
Protein Name
4-chlorobenzoyl CoA ligase
Ligand Name
4-Chlorophenacyl-coenzyme A
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
JKZHFXZXNBMAGG-VXAHOBLNSA-N
SMILES
CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4)Cl)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 3CW9
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Color Legend
Unassigned regionsLigand / hetero atomse3cw9A1e3cw9A2e3cw9A3e3cw9A4e3cw9B1e3cw9B2e3cw9B3e3cw9B4
ECOD domains from experimental PDB structures interacting with ligand 01A