Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	PARAOXON
Molecular formula	C10H14NO6P
IUPAC name	diethyl (4-nitrophenyl) phosphate
Molecular weight	275.197
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	2.0
Synonyms	Phosphachole diethyl (4-nitrophenyl) phosphate Q9CX8P80JW DSSTox_CID_4046 Ts 219 ENT 16,087 HC 2072 Mintisal NSC-404110 O,O-Diethyl phosphoric acid O-p-nitrophenyl ester 4-Nitrophenyl Diethyl Phosphate p-Nitrophenyl diethylphosphate BRN 1915526 Paraoxone Chinorta CTK8G2278 Phosphonothioic acid, diethylparanitrophenyl ester Diethyl paraoxon SCHEMBL26405 DTXSID6024046 WYMSBXTXOHUIGT-UHFFFAOYSA-N Ethyl paraoxan J-018260 NCGC00164276-01 O,O'Diaethyl-p-nitrophenylphosphat [German] O,O-diethyl-O-p-nitrophenylphosphoric acid, diethyl-p-nitrophenyl phosphate AI3-16087 Paraoxon-ethyl CAS-311-45-5 Parathion oxon Phenol, ester with diethyl phosphate Diaethyl-p-nitrophenylphosphorsaeureester Phosphoric acid, diethyl p-nitrophenyl ester Diethyl-p-nitrophenyl phosphate Tox21_202424 E-600 Fosfakol Mintaco NCGC00259973-01 O,O-Diethyl O-4-nitrophenyl phosphate Oxyparathion BCP04403 Paraoxon-ethyl, >=90%, oil Phosphacol Diethyl 4-nitrophenyl phosphate RCRA waste no. P041 DSSTox_GSID_24046 UNII-Q9CX8P80JW Ester 25 HSDB 6044 Miotisal NSC404110 O,O-Diethyl Phosphoric acid, O-(p-nitrophenyl) ester C06606 Parathion ethyl oxon Chinorto D08XQI Phosphoric acid diethyl 4-nitrophenyl ester Diethyl-p-nitrofenyl ester kyseliny fosforecne Soluglacit E 600 ZINC1530487 Ethyl paraoxon LS-107729 NCGC00164276-02 O,O-Diethyl O-(4-nitrophenyl) phosphate O,O-Dietyl-O-p-nitrofenylfosfat AKOS015888333 Paraoxon-ethyl 10 microg/mL in Cyclohexane CCRIS 7780 Paroxan Phenol, p-nitro-, ester with diethyl phosphate Diaethyl-p-nitrophenylphosphorsaeureester [German] Phosphoric acid,diethyl 4-nitrophenyl ester Diethylparaoxon Tox21_303047 EINECS 206-221-0 FT-0603374 Mintacol NSC 404110 O,O-Diethyl O-p-nitrophenyl phosphate 311-45-5 p-Nitrophenyl diethyl phosphate BDBM50240416 Paraoxon-ethyl, PESTANAL(R), analytical standard CHEMBL23838 Phosphakol Diethyl p-nitrophenyl phosphate Rcra waste number P041 DSSTox_RID_77266 WLN: WNR DOPO & O2 & O2 Ethyl p-nitrophenyl ethylphosphate I01-10302 Miotisal A O,O'Diaethyl-p-nitrophenylphosphat O,O-Diethyl-O-p-nitrophenylphosphoric acid AC1L1SY4 Paraoxon, analytical standard C10H14NO6P Parathion O-analog CJ-23971 D10529 Phosphoric acid, diethyl 4-nitrophenyl ester Diethyl-p-nitrofenyl ester kyseliny fosforecne [Czech] Soluglaucit E 600 (pesticide) Eticol MFCD00007316 NCGC00256967-01 O,O-Diethyl O-(4-nitrophenyl) phosphate, technical grade, 90% O,O-Dietyl-O-p-nitrofenylfosfat [Czech] AN-7049 Paraoxon-ethyl 100 microg/mL in Cyclohexane CHEBI:27827 Pestox 101 [ Show all ]
Inchi Key	WYMSBXTXOHUIGT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
PubChem CID	9395
ChEMBL	CHEMBL23838
IUPHAR	N/A
BindingDB	50240416
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
385508	Cannabinoid receptor 1	P47746	Cnr1	Mus musculus (Mouse)	473
385507	Muscarinic acetylcholine receptor DM1	P16395	mAChR-A	Drosophila melanogaster (Fruit fly)	805

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417