Attributes
UniProt ID
Protein Name
3,5,7-trioxododecanoyl-CoA synthase
Ligand Name
~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] tridecanethioate
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
TZKUYUHMJHEXOQ-QYIUPXBKSA-N
SMILES
CCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 7W6G
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Color Legend
Unassigned regionsLigand / hetero atomse7w6gA1e7w6gA2e7w6gB1e7w6gB2e7w6gC1e7w6gC2e7w6gD1e7w6gD2
ECOD domains from experimental PDB structures interacting with ligand 8I9