Ligand
Ligand Name:   BAY 11-7082
Ligand Type:   non-polymer
Ligand ID:   COVPDB594 PubChem:   5353431
Synonym(s):  
  •   19542-67-7
  • (e)-3-tosylacrylonitrile
  • (e)-3-(p-toluenesulfonyl)acrylonitrile
  • bay 11-7821
  • bay-11-7082
  • bay11-7082
  • unii-4y5g2a4f6o
  • (e)-3-(4-methylphenyl)sulfonylprop-2-enenitrile
  • bay-11-7821
  • 3-(4-methylphenylsulfonyl)-2-propenenitrile
  • bay-117082
  • bay-117821
  • c10h9no2s
  • 4y5g2a4f6o
  • chembl403183
  • chebi:85928
  • (2e)-3-[(4-methylphenyl)sulfonyl]-2-propenenitrile
  • mfcd00712162
  • 2-propenenitrile, 3-[(4-methylphenyl)sulfonyl]-, (2e)-
  • bay 11-7821(bay 11-7082)
  • (2e)-3-[(4-methylbenzene)sulfonyl]prop-2-enenitrile
  • (2e)-3-[(4-methylphenyl)sulfonyl]prop-2-enenitrile
  • (e)-3-(4-methylphenyl)sulfonyl-2-propenenitrile
  • 3-(p-toluenesulfonyl)acrylonitrile, (e)-
  • cyanovinyl)-p-tolylsulfone, beta-(
  • cyanovinyl)-p-tolylsulphone, beta-(
  • bay117082
  • 3-(4-methylphenyl)sulfonylprop-2-enenitrile
  • curator_000002
  • biomolki_000065
  • acrylonitrile, 3-(p-tolylsulfonyl)-, (e)-
  • biomolki2_000006
  • (e)-3-(4-methylphenylsulfonyl)-2-propenenitrile
  • bmk1-g5
  • bspbio_001197
  • (e)3-[(4-methylphenyl)sulfonyl]-2-propenenitrile
  • cc-690
  • schembl161627
  • schembl161628
  • gtpl5934
  • qcr-28
  • beta-(cyanovinyl)-p-tolylsulfone
  • chebi:92270
  • 2-propenenitrile, 3-((4-methylphenyl)sulfonyl)-, (e)-
  • aob5759
  • dtxsid90859645
  • hms1362k19
  • hms1412b18
  • hms1792k19
  • hms1990k19
  • hms3229c08
  • hms3263k17
  • hms3268c04
  • hms3403k19
  • hms3414m15
  • hms3678m15
  • bcp06798
  • ex-a1491
  • zinc2568458
  • tox21_501018
  • 2252ah
  • bdbm50372524
  • s2913
  • stl490605
  • (e)-3-(p-tolylsulfonyl)acrylonitrile
  • 3-(toluene-4-sulfonyl)-acrylonitrile
  • akos002161604
  • akos025149443
  • ccg-100669
  • cs-5112
  • lp01018
  • sdccgsbi-0086734.p002
  • (3e)3-(p-toluenesulfonyl)acrylonitrile
  • idi1_002184
  • idi1_008259
  • ncgc00025272-02
  • ncgc00025272-03
  • ncgc00025272-04
  • ncgc00025272-05
  • ncgc00025272-15
  • ncgc00261703-01
  • as-58129
  • hy-13453
  • ls-13749
  • ab0048073
  • st50036097
  • sw219578-1
  • ec-000.2385
  • a11957
  • bay 11-7082, >=98% (hplc), powder
  • (2e)-3-[(4-methylphenyl)sulfonyl]acrylonitrile
  • a808168
  • a813803
  • sr-01000597491
  • (2e)-3-(4-methylbenzenesulfonyl)prop-2-enenitrile
  • (e)-3-(4-methylphenylsulfonyl)-2-propenenenitrile
  • bay 11-7082 (bay 11-7821)
  • j-501956
  • sr-01000597491-1
  • brd-k15025317-001-04-5
  • brd-k15025317-001-09-4
  • q27074879
show 101 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL403183
Canonical SMILES:   Cc1ccc(cc1)S(=O)(=O)/C=C/C#N
Standard InChI:   InChI=1S/C10H9NO2S/c1-9-3-5-10(6-4-9)14(12,13)8-2-7-11/h2-6,8H,1H3/b8-2+
Molecular Formula:   C10H9NO2S Mol. Weight:   207.0354 logP:   1.806
HBD:   0 HBA:   3
#Rotatable Bonds:   2 TPSA:   57.93

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) 4ONN BY1
-
-
SHOW