Ligand
Ligand Name:   NSC697923
Ligand Type:   non-polymer
Ligand ID:   COVPDB1128 PubChem:   394449
Synonym(s):  
  •   343351-67-7
  • 2-[(4-methylphenyl)sulfonyl]-5-nitrofuran
  • nsc 697923
  • nsc-697923
  • mls002702444
  • 2-(4-methylphenyl)sulfonyl-5-nitrofuran
  • furan, 2-[(4-methylphenyl)sulfonyl]-5-nitro-
  • 2-nitro-5-(toluene-4-sulfonyl)-furan
  • smr001566006
  • 2-nitro-5-tosylfuran
  • 2-nitro-5-tosyl-furan
  • ncimech_000297
  • oprea1_719610
  • cid_394449
  • chembl1698008
  • schembl15200927
  • schembl15213579
  • bdbm83278
  • 2-nitro-5-p-toluenesulfonylfuran
  • 2-nitro-5-(p-tolylsulfonyl)furan
  • hms3653e11
  • zinc1860216
  • 2600ah
  • ccg-35232
  • s7142
  • akos024458379
  • ncgc00379215-03
  • bs-16607
  • hy-13811
  • nci60_034979
  • 2-(4-methylphenyl)sulfonyl-5-nitro-furan
  • am20210010
  • cs-0007919
  • sw220082-1
  • j3.623.063k
  • a14068
  • furan,2-[(4-methylphenyl)sulfonyl]-5-nitro-
  • j-019560
  • q27463656
  • hydroxy(5-((4-methylphenyl)sulfonyl)-2-furyl)azane oxide
show 39 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL1698008
Canonical SMILES:   Cc1ccc(cc1)S(=O)(=O)c2ccc(o2)[N+](=O)[O-]
Standard InChI:   InChI=1S/C11H9NO5S/c1-8-2-4-9(5-3-8)18(15,16)11-7-6-10(17-11)12(13)14/h2-7H,1H3
Molecular Formula:   C11H9NO5S Mol. Weight:   267.02014 logP:   2.32902
HBD:   0 HBA:   5
#Rotatable Bonds:   3 TPSA:   90.42

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Ubiquitin-conjugating enzyme E2 N P61088 (UBE2N_HUMAN) Homo sapiens (Human) 4ONM N2F
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