Ligand
Ligand Name:   4-IODO-ACETAMIDO PHENYLBORONIC ACID
Ligand Type:   non-polymer
Ligand ID:   COVPDB936 PubChem:   4634714
Synonym(s):  
  •   87199-19-7
  • [3-[(2-iodoacetyl)amino]phenyl]boronic acid
  • boronic acid, [3-[(iodoacetyl)amino]phenyl]-
  • schembl7744399
  • dtxsid90405045
  • db02122
  • (3-(2-iodoacetamido)phenyl)boronic acid
  • {3-[(iodoacetyl)amino]phenyl}boronic acid
  • q27093189
show 8 synonym(s)
DrugBank:   DB02122 ChEMBL:   CHEMBL1233519
Canonical SMILES:   OB(O)c1cccc(c1)NC(=O)CI
Standard InChI:   InChI=1S/C8H9BINO3/c10-5-8(12)11-7-3-1-2-6(4-7)9(13)14/h1-4,13-14H,5H2,(H,11,12)
Molecular Formula:   C8H9BINO3 Mol. Weight:   304.97202 logP:   -0.2601
HBD:   3 HBA:   3
#Rotatable Bonds:   3 TPSA:   69.56

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Beta-lactamase Q93CA2 (Q93CA2_ENTCL) Enterobacter cloacae 1S6R IAP
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Beta-lactamase OXA-10 P14489 (BLO10_PSEAI) Pseudomonas aeruginosa 1K6S IAP
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SHOW