Ligand
Ligand Name:   (~{E})-3-[3-(dihydroxyboranyl)phenyl]prop-2-enoic acid
Ligand Type:   non-polymer
Ligand ID:   COVPDB1040 PubChem:   5844876
Synonym(s):  
  •   216144-91-1
  • 3-(3-boronophenyl)acrylic acid
  • (e)-3-(3-boronophenyl)acrylic acid
  • 3-(2-carboxyvinyl)benzeneboronic acid
  • 3-(2-carboxyvinyl)phenylboronic acid
  • 3-(trans-2-carboxyvinyl)phenylboronic acid
  • (e)-3-(3-boronophenyl)prop-2-enoic acid
  • 843662-48-6
  • chembl140747
  • 3-phenylpropylester boronic acid
  • mfcd01075738
  • 3-[-(e)-2-carboxyvinyl]benzeneboronic acid
  • 3-boronocinnamic acid
  • 2-propenoic acid, 3-(3-boronophenyl)-, (2e)-
  • schembl856015
  • bdbm50067900
  • akos004116399
  • zinc169747023
  • ab08184
  • am88111
  • ps-9453
  • ncgc00092018-01
  • (e)-3-(3-boronophenyl)-2-propenoic acid
  • 3-(3-boronophenyl)-(2e)-2-propenoic acid
  • cs-0128872
  • x0623
  • a-9013
  • (2e)-3-[3-(dihydroxyboryl)phenyl]acrylic acid
  • 3-(2-carboxyvinyl)benzeneboronic acid, aldrichcpr
  • a815526
  • (e)-3-[3-(dihydroxyboranyl)phenyl]prop-2-enoic acid
show 30 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL140747
Canonical SMILES:   OB(O)c1cccc(\C=C\C(O)=O)c1
Standard InChI:   InChI=1S/C9H9BO4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h1-6,13-14H,(H,11,12)/b5-4+
Molecular Formula:   C9H9BO4 Mol. Weight:   192.05939 logP:   -0.5358
HBD:   3 HBA:   3
#Rotatable Bonds:   3 TPSA:   77.76

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Beta-lactamase Q541D8 (Q541D8_PSEAI) Pseudomonas aeruginosa 6S1S KRT
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