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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Cannabinoid receptor 1
Species	Mus musculus (Mouse)
Gene	Cnr1
Synonym	SKR6R Neuronal cannabinoid receptor Central cannabinoid receptor CB1R CB1 receptor CB1 CB-R Cann7 Cann6 Brain-type cannabinoid receptor THC receptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	473
Amino acid sequence	MKSILDGLADTTFRTITTDLLYVGSNDIQYEDIKGDMASKLGYFPQKFPLTSFRGSPFQEKMTAGDNSPLVPAGDTTNITEFYNKSLSSFKENEDNIQCGENFMDMECFMILNPSQQLAIAVLSLTLGTFTVLENLLVLCVILHSRSLRCRPSYHFIGSLAVADLLGSVIFVYSFVDFHVFHRKDSPNVFLFKLGGVTASFTASVGSLFLTAIDRYISIHRPLAYKRIVTRPKAVVAFCLMWTIAIVIAVLPLLGWNCKKLQSVCSDIFPLIDETYLMFWIGVTSVLLLFIVYAYMYILWKAHSHAVRMIQRGTQKSIIIHTSEDGKVQVTRPDQARMDIRLAKTLVLILVVLIICWGPLLAIMVYDVFGKMNKLIKTVFAFCSMLCLLNSTVNPIIYALRSKDLRHAFRSMFPSCEGTAQPLDNSMGDSDCLHKHANNTASMHRAAESCIKSTVKIAKVTMSVSTDTSAEAL
UniProt	P47746
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3037
IUPHAR	56
DrugBank	N/A

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.

Experimental Data

Parameter	Value	Reference	Database source
IC50	1200.0 nM	PMID18752948	BindingDB,ChEMBL

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