Ligand
Ligand Name:   3-nitrophenylboronic acid
Ligand Type:   non-polymer
Ligand ID:   COVPDB1151 PubChem:   1677
Synonym(s):  
  •   13331-27-6
  • (3-nitrophenyl)boronic acid
  • 3-nitrobenzeneboronic acid
  • m-nitrophenylboronic acid
  • boronic acid, (3-nitrophenyl)-
  • benzeneboronic acid, m-nitro-
  • m-nitrobenzeneboronic acid
  • 3-nitrophenyl boronic acid
  • boronic acid, b-(3-nitrophenyl)-
  • mfcd00007193
  • m-nitophenyl boronic acid
  • unii-jlc765w4pn
  • 3-nitro-phenyl boronic acid
  • jlc765w4pn
  • chembl20945
  • wln: wnr cbqq
  • 3-nitrophenylboronic acid, 97%
  • nsc 59739
  • brn 2938638
  • ai3-60393
  • zlchem 233
  • pubchem6366
  • 3-nitropenyl boronic acid
  • m-nitrophenyl boronic acid
  • acmc-1bt6w
  • 3-nitro-phenylboronic acid
  • 3-nitrophenyl-boronic acid
  • meta-nitrophenylboronic acid
  • 3-nitro-benzeneboronic acid
  • 3-nitrobenzene boronic acid
  • 3-nitrobenzene-boronic acid
  • 3-nitro-phenyl-boronic acid
  • 3-nitro phenyl boronic acid
  • meta-nitrobenzeneboronic acid
  • 3-nitro benzene boronic acid
  • (3-nitrophenyl)-boronic acid
  • schembl127723
  • dihydroxy(3-nitrophenyl)borane
  • dtxsid2065416
  • schembl14071499
  • amba00054
  • 3-nitro-phenyl-1-dihydroxyborane
  • zlc0041
  • acn-s004007
  • act04771
  • albb-006120
  • bcp18407
  • nsc59739
  • 3-nitrophenylboronic acid, >=97%
  • anw-19529
  • bbl104406
  • bdbm50067887
  • nsc-59739
  • nsc401539
  • rw2294
  • sbb063228
  • stk503722
  • akos000265274
  • zinc169743203
  • ab00854
  • ac-5363
  • as-2715
  • cs-w007413
  • db02797
  • ls10851
  • mcule-5274072826
  • nsc-401539
  • ncgc00092010-01
  • ncgc00092010-02
  • ak-24787
  • bc000127
  • i296
  • sy015120
  • db-025024
  • am20060323
  • ft-0602438
  • ft-0645343
  • ft-0659121
  • n0563
  • en300-54327
  • b-2211
  • 75820-ep2284157a1
  • 75820-ep2308880a1
  • 100871-ep2272828a1
  • 100871-ep2276085a1
  • 100871-ep2281861a2
  • 100871-ep2284920a1
  • 100871-ep2289877a1
  • 100871-ep2292601a1
  • 100871-ep2292602a1
  • 100871-ep2292603a1
  • 100871-ep2292618a1
  • 100871-ep2293650a1
  • 100871-ep2298737a1
  • 100871-ep2298739a1
  • 100871-ep2298740a1
  • 100871-ep2298741a1
  • 100871-ep2298771a2
  • 100871-ep2301920a1
  • 119811-ep2272817a1
  • 119811-ep2298731a1
  • 331n276
  • a806593
  • j-512975
  • q27093741
  • f0001-0442
show 105 synonym(s)
DrugBank:   DB02797 ChEMBL:   CHEMBL20945
Canonical SMILES:   OB(O)c1cc([N+]([O-])=O)ccc1
Standard InChI:   InChI=1S/C6H6BNO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,9-10H
Molecular Formula:   C6H6BNO4 Mol. Weight:   167.03899 logP:   -0.7254
HBD:   2 HBA:   4
#Rotatable Bonds:   2 TPSA:   83.6

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Beta-lactamase P00811 (AMPC_ECOLI) Escherichia coli (strain K12) 1KDS NPB IC50 : 5000 nM, Ki : 1700 nM BindingDB SHOW
Carbapenem-hydrolyzing beta-lactamase KPC Q9F663 (BLKPC_KLEPN) Klebsiella pneumoniae 3RXX NPB
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