DrugDomain logoDrugDomain

[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (3R)-4-[(3-{[2-(ethylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name)

Q50I20 — 2-methylcitrate synthase, mitochondrial -2-methylcitrate synthase

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Attributes

UniProt ID
Q50I20
Protein Name
2-methylcitrate synthase, mitochondrial -2-methylcitrate synthase
Ligand Name
[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (3R)-4-[(3-{[2-(ethylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name)
DrugBank ID
None
PDB Ligand Accession
8JD
ChEMBL ID
None
PubChem ID
132471741
InChIKey
ZYQGAGMIMDQCKA-ZSJPKINUSA-N
SMILES
CCSCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)O
Drug Action
No data available
Affinity Metrics
No affinity data available