Attributes
UniProt ID
Protein Name
acetyl-CoA 1,2-dioxygenase
Ligand Name
[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL (3R)-4-({3-[(2-{[(3,5-DIHYDROXYPHENYL)ACETYL]AMINO}ETHYL)AMINO]-3-OXOPROPYL}AMINO)-3-HYDROXY-2,2-DIMETHYL-4-OXOBUTYL DIHYDROGEN DIPHOSPHATE
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
MSJGSRHUBFYIJV-CECATXLMSA-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)NCCNC(=O)Cc4cc(cc(c4)O)O)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 2NP9
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Color Legend
Unassigned regionsLigand / hetero atomse2np9A3e2np9B3e2np9C3
ECOD domains from experimental PDB structures interacting with ligand YE1