Ligand
Ligand Name:   Benzoquinone
Ligand Type:   non-polymer
Ligand ID:   COVPDB683 PubChem:   4650
Synonym(s):  
  •   p-benzoquinone
  • 1,4-benzoquinone
  • quinone
  • 106-51-4
  • p-quinone
  • chinone
  • cyclohexa-2,5-diene-1,4-dione
  • 2,5-cyclohexadiene-1,4-dione
  • para-benzoquinone
  • cyclohexadienedione
  • para-quinone
  • 1,4-benzoquine
  • 1,4-dioxybenzene
  • steara pbq
  • p-chinon
  • 1,4-cyclohexadienedione
  • benzo-chinon
  • benzo-1,4-quinone
  • 1,4-diossibenzene
  • chinon
  • 1,4-dioxy-benzol
  • 1,4-cyclohexadiene dioxide
  • semiquinone anion
  • semiquinone radicals
  • rcra waste number u197
  • nci-c55845
  • usaf p-220
  • cyclohexadiene-1,4-dione
  • 1,4-benzochinon
  • nsc 36324
  • unii-3t006gv98u
  • [1,4]benzoquinone
  • chebi:16509
  • quinone1,4-benzoquinone
  • mfcd00001591
  • 1,4-benzoquinone, 99%
  • chembl8320
  • 3t006gv98u
  • dsstox_cid_145
  • dsstox_rid_75398
  • dsstox_gsid_20145
  • p-chinon [german]
  • benzo-chinon [german]
  • caswell no. 719c
  • chinon [dutch, german]
  • 1,4 benzoquinone
  • cas-106-51-4
  • 1,4-dioxy-benzol [german]
  • ccris 933
  • 1,4-diossibenzene [italian]
  • hsdb 1111
  • einecs 203-405-2
  • un2587
  • rcra waste no. u197
  • epa pesticide chemical code 059805
  • p-benzo-quinone
  • ai3-09068
  • quinone; p-bq
  • nsc36324
  • nsc-36324
  • 2,4-dione
  • p-bq
  • pubchem14592
  • acmc-1bvrl
  • benzo-1,4-quinone #
  • (p-phenylenedioxy)radical
  • lopac-b-1266
  • benzoquinone [un2587]
  • epitope id:116219
  • wln: l6v dvj
  • chinon(dutch, german)
  • ec 203-405-2
  • cid_4650
  • lopac0_000120
  • schembl18103
  • benzil-related compound, 53
  • mls002454445
  • gtpl6307
  • 2,5-cyclohexadiene-1-4-dione
  • dtxsid6020145
  • bdbm22774
  • hms2230n13
  • hms3260g22
  • zinc895247
  • amy21949
  • tox21_202020
  • tox21_302970
  • tox21_500120
  • anw-15407
  • bbl010327
  • benzoquinone [un2587] [poison]
  • c0261
  • sbb058657
  • stk398389
  • akos000119965
  • 3,6-dioxo-1,4-cyclohexadiene-1-ide
  • ccg-204215
  • lp00120
  • ls41078
  • mcule-2576853438
  • sdccgsbi-0050108.p002
  • un 2587
  • p-benzoquinone, reagent grade, >=98%
  • ncgc00015139-01
  • ncgc00015139-02
  • ncgc00015139-03
  • ncgc00015139-04
  • ncgc00015139-05
  • ncgc00015139-06
  • ncgc00015139-07
  • ncgc00015139-10
  • ncgc00091053-01
  • ncgc00091053-02
  • ncgc00091053-03
  • ncgc00256505-01
  • ncgc00259569-01
  • ncgc00260805-01
  • smr000326659
  • vs-02448
  • ds-000613
  • b0089
  • b0887
  • eu-0100120
  • st51036952
  • 6402-ep2270505a1
  • 6402-ep2305689a1
  • 6402-ep2309584a1
  • 6402-ep2315303a1
  • 6402-ep2371812a1
  • b 1266
  • c00472
  • m-7408
  • 73907-ep2275469a1
  • 73907-ep2277862a2
  • 73907-ep2287940a1
  • 73907-ep2289965a1
  • 73907-ep2295416a2
  • 73907-ep2298748a2
  • 73907-ep2298770a1
  • 73907-ep2298828a1
  • 73907-ep2305808a1
  • 73907-ep2308926a1
  • 73907-ep2309564a1
  • 73907-ep2380568a1
  • 84801-ep2277862a2
  • 84801-ep2305808a1
  • 2,5-cyclohexadiene-1,4-dione, radical ion(1-)
  • 205985-ep2371803a1
  • 205985-ep2377843a1
  • a801452
  • q402719
  • sr-01000075705
  • j-503966
  • sr-01000075705-1
  • f1908-0067
  • unii-3x2wq5ziw6 component azqwkyjcgojghm-uhfffaoysa-n
  • 1,4-benzoquinone, pharmaceutical secondary standard; traceable to usp
  • 1,4-benzoquinone, united states pharmacopeia (usp) reference standard
  • cyclohexa-2,5-diene-1,4-dione; quinone ring of the plastoquinone 9
  • p-benzoquinone, for spectrophotometric det. of amines, >=99.5% (hplc)
  • 1,4-benzoquinone, pharmaceutical secondary standard; certified reference material
show 160 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL8320
Canonical SMILES:   O=C1C=CC(=O)C=C1
Standard InChI:   InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H
Molecular Formula:   C6H4O2 Mol. Weight:   108.021126 logP:   0.2506
HBD:   0 HBA:   2
#Rotatable Bonds:   0 TPSA:   34.14

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Urease subunit alpha P41020 (URE1_SPOPA) Sporosarcina pasteurii (Bacillus pasteurii) 5FSE HQE
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Urease subunit alpha P41020 (URE1_SPOPA) Sporosarcina pasteurii (Bacillus pasteurii) 5FSD DBX
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