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Attributes

UniProt ID
Protein Name
4-coumarate--CoA ligase 2
Ligand Name
5'-O-[(R)-{[(2E)-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}(hydroxy)phosphoryl]adenosine
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
SRUDBSRTEMWJHC-LNTBVICDSA-N
SMILES
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OC(=O)C=CC4=CC(=O)C(=O)C=C4)O)O)N
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 5BSU
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Color Legend
Unassigned regionsLigand / hetero atomse5bsuA1e5bsuA2e5bsuA3e5bsuA4
ECOD domains from experimental PDB structures interacting with ligand 4UV
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
O24146n/a4UV5bsue5bsuA2A:352-437
O24146n/a4UV5bsue5bsuA3A:438-536
O24146n/a4UV5bsue5bsuA4A:179-351