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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	CHEMBL598095
Molecular formula	C25H23Cl3N6O2
IUPAC name	5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4-(1,2,4-triazol-1-ylmethyl)pyrazole-3-carboxamide
Molecular weight	545.849
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	5.4
Synonyms	4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-((1S,2S)-2-hydroxycyclohexyl)-1Hpyrazole-3-carboxamide BDBM50310041
Inchi Key	AEMUPACUOBYQEJ-UNMCSNQZSA-N
Inchi ID	InChI=1S/C25H23Cl3N6O2/c26-16-7-5-15(6-8-16)24-18(12-33-14-29-13-30-33)23(25(36)31-20-3-1-2-4-22(20)35)32-34(24)21-10-9-17(27)11-19(21)28/h5-11,13-14,20,22,35H,1-4,12H2,(H,31,36)/t20-,22-/m0/s1
PubChem CID	46231339
ChEMBL	CHEMBL598095
IUPHAR	N/A
BindingDB	50310041
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	60.7 nM	PMID20045337	BindingDB,ChEMBL

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