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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.
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GPCR

Name	Cannabinoid receptor 1
Species	Homo sapiens (Human)
Gene	CNR1
Synonym	CB1 Central cannabinoid receptor SKR6R THC receptor CB1R CANN6 CB1 receptor Neuronal cannabinoid receptor Cann7 CB-R [ Show all ]
Disease	Obesity; Diabetes Chemotherapy-induced nausea Diabetes; Obesity Drug abuse Hypertension; Diabetes; Obesity Insomnia Ischemia Lipid metabolism disorder Metabolic disorders Obesity Type 2 diabetes Schizophrenia Psychotic disorders Postherpetic neuralgia Ovarian cancer Obesity; Metabolic disorders Nicotine dependence; Obesity Neuropathic pain Cerebrovascular ischaemia Central nervous system disease Pain Anorexia Endocrine disease [ Show all ]
Length	472
Amino acid sequence	MKSILDGLADTTFRTITTDLLYVGSNDIQYEDIKGDMASKLGYFPQKFPLTSFRGSPFQEKMTAGDNPQLVPADQVNITEFYNKSLSSFKENEENIQCGENFMDIECFMVLNPSQQLAIAVLSLTLGTFTVLENLLVLCVILHSRSLRCRPSYHFIGSLAVADLLGSVIFVYSFIDFHVFHRKDSRNVFLFKLGGVTASFTASVGSLFLTAIDRYISIHRPLAYKRIVTRPKAVVAFCLMWTIAIVIAVLPLLGWNCEKLQSVCSDIFPHIDETYLMFWIGVTSVLLLFIVYAYMYILWKAHSHAVRMIQRGTQKSIIIHTSEDGKVQVTRPDQARMDIRLAKTLVLILVVLIICWGPLLAIMVYDVFGKMNKLIKTVFAFCSMLCLLNSTVNPIIYALRSKDLRHAFRSMFPSCEGTAQPLDNSMGDSDCLHKHANNAASVHRAAESCIKSTVKIAKVTMSVSTDTSAEAL
UniProt	P21554
Protein Data Bank	5tjv, 5u09, 5xr8, 5xra, 6n4b, 5tgz
GPCR-HGmod model	P21554
3D structure model	This structure is from PDB ID 5tjv.
BioLiP	BL0384680, BL0364157, BL0384679, BL0384681, BL0384682, BL0384683, BL0384684, BL0440253, BL0440254,BL0440255, BL0363267, BL0361447, BL0361446
Therapeutic Target Database	T76685
ChEMBL	CHEMBL218
IUPHAR	56
DrugBank	BE0000061

Ligand

Name	ST50920082
Molecular formula	C23H16N4O3S3
IUPAC name	N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
Molecular weight	492.586
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	4.3
Synonyms	CDS1_004944 MolPort-001-503-676 AC1M28LD cid_2164452 N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide BIM-0036585.P001 MCULE-9876542976 N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}(2-(2-thienyl)(4-quinolyl))carbox amide 6129-32-4 N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-(thiophen-2-yl)quinoline-4-carboxamide STK442327 AKOS003271402 DivK1c_005984 N-[4-(2-thiazolylsulfamoyl)phenyl]-2-thiophen-2-yl-4-quinolinecarboxamide CBMicro_036688 MLS-0437218.0001 Oprea1_177434 CHEMBL1727434 N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-thiophen-2-yl-quinoline-4-carboxamide ZINC2742413 BDBM76076 DTXSID00366759 N-[4-(thiazol-2-ylsulfamoyl)phenyl]-2-(2-thienyl)cinchoninamide [ Show all ]
Inchi Key	BNKRAYDPUDOBAS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H16N4O3S3/c28-22(18-14-20(21-6-3-12-31-21)26-19-5-2-1-4-17(18)19)25-15-7-9-16(10-8-15)33(29,30)27-23-24-11-13-32-23/h1-14H,(H,24,27)(H,25,28)
PubChem CID	2164452
ChEMBL	CHEMBL1727434
IUPHAR	N/A
BindingDB	76076
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	<32000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
IC50	4090.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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