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Attributes

UniProt ID
Protein Name
4-coumarate--CoA ligase
Ligand Name
5'-O-{(S)-hydroxy[3-(4-hydroxyphenyl)propoxy]phosphoryl}adenosine
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
AWKHKUUJFJBBRQ-NVQRDWNXSA-N
SMILES
c1cc(ccc1CCCOP(=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)O
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 3NI2
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Color Legend
Unassigned regionsLigand / hetero atomse3ni2A5e3ni2A6e3ni2A7e3ni2A8
ECOD domains from experimental PDB structures interacting with ligand AYL
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q941M3n/aAYL3ni2e3ni2A5A:357-432
Q941M3n/aAYL3ni2e3ni2A6A:173-356
Q941M3n/aAYL3ni2e3ni2A7A:433-532