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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	Chlorpyrifos oxon
Molecular formula	C9H11Cl3NO4P
IUPAC name	diethyl (3,5,6-trichloropyridin-2-yl) phosphate
Molecular weight	334.514
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.5
Synonyms	diethyl 3,5,6-trichloropyridin-2-yl phosphate Dursban O-analog NCGC00168295-01 Phosphoric acid, diethyl 3,5,6-trichloro-2-pyridinyl ester (9CI) CCRIS 7774 CHLORPYRIFOS-OXON Chlorpyriphoxon Diethyl-3,5,6-trichloro-2-pyridyl phosphate Fospirate-ethyl O,O-Diethyl O-3,5,6-trichloro-2-pyridyl phosphate SCHEMBL1168184 7RC6H1MPX6 Chloropyrifos oxon Diethyl 3,5,6-trichloro-2-pyridinyl phosphate # DSSTox_RID_79383 LS-107747 Phosphoric Acid Diethyl 3,5,6-Trichloro-2-pyridinyl Ester ZINC2037153 BRN 1545755 Diethyl-2,5,6-trichloro-2-pyridinol Dursban oxygen analog NCGC00168295-02 PHOSPHORIC ACID, DIETHYL 3,5,6-TRICHLORO-2-PYRIDYL ESTER 5598-15-2 Chlorpyrifos-oxon 100 microg/mL in Methanol D0W6PT DSSTox_CID_18666 FT-0665011 O-(3,5,6-Trichloro-2-pyridinyl) O,O-Diethyl Phosphate Tox21_301063 AC1L2J4G Chloropyrifos oxygen analog Diethyl 3,5,6-trichloro-2-pyridyl phosphate DTXSID1038666 NCGC00163710-02 Phosphoric acid, diethyl 3,5,6-trichloro-2-pyridinyl ester 3,5,6-Trichloro-2-pyridyl diethyl phosphate CAS-5598-15-2 Chlorpyrifos-ethyl Oxon Diethyl-2,5-6-trichloro-2-pyridinol Dursbanoxon NCGC00254965-01 Phospyrat ethyl 6-Trichloro-2-pyridyl Diethyl Phosphate CHEMBL444970 Chlorpyriphos oxon diethyl (3,5,6-trichloropyridin-2-yl) phosphate DSSTox_GSID_38666 FT-0700667 OTMOUPHCTWPNSL-UHFFFAOYSA-N UNII-7RC6H1MPX6 BDBM50247086 Chlorphrifos Oxon [ Show all ]
Inchi Key	OTMOUPHCTWPNSL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H11Cl3NO4P/c1-3-15-18(14,16-4-2)17-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3
PubChem CID	21804
ChEMBL	CHEMBL444970
IUPHAR	N/A
BindingDB	50247086
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Bmax	0.17 pmol/mg	PMID18752948	ChEMBL
IC50	3.0 nM	PMID18752948	BindingDB,ChEMBL
IC50	10.0 nM	PMID18752948	BindingDB,ChEMBL
IC50	25000.0 nM	PMID18752948	BindingDB,ChEMBL
Kd	0.86 nM	PMID18752948	BindingDB,ChEMBL

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