Attributes
UniProt ID
Protein Name
ATP-citrate synthase -lyase
Ligand Name
(3S)-citryl-Coenzyme A
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
IHVFHZGGMJDGGZ-VPXVXCNZSA-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)NCCSC(=O)CC(CC(=O)O)(C(=O)O)O)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 6Z2H
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Color Legend
Unassigned regionsLigand / hetero atomse6z2hA1e6z2hB1e6z2hC1e6z2hD1
ECOD domains from experimental PDB structures interacting with ligand Q5B