Ligand
Ligand Name:   {[(2,6-dimethoxyphenyl)formamido]methyl}boronic acid
Ligand Type:   non-polymer
Ligand ID:   COVPDB464 PubChem:   54330214
Synonym(s):  
  •   2,6 dimethoxybenzamidoboronic acid
  • 114627-27-9
  • (2,6-dimethoxybenzamido)methylboronic acid
  • chembl2035284
  • ((2,6-dimethoxybenzamido)methyl)boronic acid
  • [(2,6-dimethoxybenzamido)methyl]boronic acid
  • acmc-20mkme
  • boronic acid, [[(2,6-dimethoxybenzoyl)amino]methyl]-
  • dtxsid50710622
  • bdbm50385267
  • {[(2,6-dimethoxybenzoyl)amino]methyl}boronic acid
  • q27458156
show 11 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL2035284
Canonical SMILES:   COc1cccc(OC)c1C(=O)NCB(O)O
Standard InChI:   InChI=1S/C10H14BNO5/c1-16-7-4-3-5-8(17-2)9(7)10(13)12-6-11(14)15/h3-5,14-15H,6H2,1-2H3,(H,12,13)
Molecular Formula:   C10H14BNO5 Mol. Weight:   239.0965 logP:   -0.5544
HBD:   3 HBA:   5
#Rotatable Bonds:   5 TPSA:   88.02

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
DD-transpeptidase Q7CRA4 (Q7CRA4_STRR6) Streptococcus pneumoniae (strain ATCC BAA-255 / R6) 2Y2G A01
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