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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	Rattus norvegicus (Rat)
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	MKSILDGLADTTFRTITTDLLYVGSNDIQYEDIKGDMASKLGYFPQKFPLTSFRGSPFQEKMTAGDNSPLVPAGDTTNITEFYNKSLSSFKENEENIQCGENFMDMECFMILNPSQQLAIAVLSLTLGTFTVLENLLVLCVILHSRSLRCRPSYHFIGSLAVADLLGSVIFVYSFVDFHVFHRKDSPNVFLFKLGGVTASFTASVGSLFLTAIDRYISIHRPLAYKRIVTRPKAVVAFCLMWTIAIVIAVLPLLGWNCKKLQSVCSDIFPLIDETYLMFWIGVTSVLLLFIVYAYMYILWKAHSHAVRMIQRGTQKSIIIHTSEDGKVQVTRPDQARMDIRLAKTLVLILVVLIICWGPLLAIMVYDVFGKMNKLIKTVFAFCSMLCLLNSTVNPIIYALRSKDLRHAFRSMFPSCEGTAQPLDNSMGDSDCLHKHANNTASMHRAAESCIKSTVKIAKVTMSVSTDTSAEAL
UniProt	P20272
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	CHEMBL3571
IUPHAR	56
DrugBank	N/A

Ligand

Name	CHEMBL2057795
Molecular formula	C19H22N4S
IUPAC name	4-(4-ethylpiperazin-1-yl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine
Molecular weight	338.473
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.3
Synonyms	Oprea1_464367 AKOS002710069 4-(4-ethyl-1-piperazinyl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine ZINC5555313 AC1LGX26 BDBM50387877 1-ethyl-4-{2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl}piperazine MCULE-3299645624 4-(4-ethylpiperazin-1-yl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine AC1Q316L 2-Methyl-4-(4-ethyl-1-piperazinyl)-6-phenylthieno[2,3-d]pyrimidine [ Show all ]
Inchi Key	CWQYMWNABHHDQG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H22N4S/c1-3-22-9-11-23(12-10-22)18-16-13-17(15-7-5-4-6-8-15)24-19(16)21-14(2)20-18/h4-8,13H,3,9-12H2,1-2H3
PubChem CID	853261
ChEMBL	CHEMBL2057795
IUPHAR	N/A
BindingDB	50387877
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<100000.0 nM	PMID23795771	ChEMBL
IC50	<10000.0 nM	PMID23795771	ChEMBL

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