Ligand
Ligand Name:   2-METHOXYMALONIC ACID
Ligand Type:   non-polymer
Ligand ID:   COVPDB737 PubChem:   14677212
Synonym(s):  
  •   methoxymalonic acid
  • 2-methoxypropanedioic acid
  • 57584-77-7
  • schembl1427169
  • akos006379808
  • e5u
show 5 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   COC(C(O)=O)C(O)=O
Standard InChI:   InChI=1S/C4H6O5/c1-9-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)
Molecular Formula:   C4H6O5 Mol. Weight:   134.02153 logP:   -0.8294
HBD:   2 HBA:   3
#Rotatable Bonds:   3 TPSA:   83.83

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Polyketide synthase Q8KUH4 (Q8KUH4_ACTPA) Actinosynnema pretiosum subsp. auranticum 6L3M E5U
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