Ligand
Ligand Name:   4-(Ethyl(methyl)carbamoyl)phenyl boronic acid
Ligand Type:   non-polymer
Ligand ID:   COVPDB1409 PubChem:   44119832
Synonym(s):  
  •   871333-04-9
  • (4-(ethyl(methyl)carbamoyl)phenyl)boronic acid
  • 4-(ethyl(methyl)carbamoyl)phenylboronic acid
  • 4-[(n-ethyl-n-methylamino)carbonyl]benzeneboronic acid
  • {4-[ethyl(methyl)carbamoyl]phenyl}boronic acid
  • [4-[ethyl(methyl)carbamoyl]phenyl]boronic acid
  • acmc-209qhx
  • schembl490705
  • boronic acid,b-[4-[(ethylmethylamino)carbonyl]phenyl]-
  • dtxsid00657432
  • anw-38611
  • mfcd08056368
  • akos015838586
  • zinc169745514
  • v8389
  • b-5697
show 15 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   OB(O)c1ccc(cc1)C(=O)N(C)CC
Standard InChI:   InChI=1S/C10H14BNO3/c1-3-12(2)10(13)8-4-6-9(7-5-8)11(14)15/h4-7,14-15H,3H2,1-2H3
Molecular Formula:   C10H14BNO3 Mol. Weight:   207.10667 logP:   -0.5417
HBD:   2 HBA:   3
#Rotatable Bonds:   3 TPSA:   60.77

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Beta-lactamase D6NSN2 (D6NSN2_ACIBA) Acinetobacter baumannii 6WIF U2Y
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