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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	G-protein coupled estrogen receptor 1
Species	Homo sapiens (Human)
Gene	GPER1
Synonym	Chemoattractant receptor-like 2 Gpr41 IL8-related receptor DRY12 LERGU LERGU2 LYGPR Lymphocyte-derived G-protein coupled receptor Membrane estrogen receptor mER GPR30 GPGR GPER chemokine receptor-like 2 CMKRL2 DRY12 FEG-1 Flow-induced endothelial G-protein coupled receptor 1 G protein-coupled estrogen receptor 1 G-protein coupled receptor 30 CEPR GPCR-BR [ Show all ]
Disease	N/A
Length	375
Amino acid sequence	MDVTSQARGVGLEMYPGTAQPAAPNTTSPELNLSHPLLGTALANGTGELSEHQQYVIGLFLSCLYTIFLFPIGFVGNILILVVNISFREKMTIPDLYFINLAVADLILVADSLIEVFNLHERYYDIAVLCTFMSLFLQVNMYSSVFFLTWMSFDRYIALARAMRCSLFRTKHHARLSCGLIWMASVSATLVPFTAVHLQHTDEACFCFADVREVQWLEVTLGFIVPFAIIGLCYSLIVRVLVRAHRHRGLRPRRQKALRMILAVVLVFFVCWLPENVFISVHLLQRTQPGAAPCKQSFRHAHPLTGHIVNLAAFSNSCLNPLIYSFLGETFRDKLRLYIEQKTNLPALNRFCHAALKAVIPDSTEQSDVRFSSAV
UniProt	Q99527
Protein Data Bank	N/A
GPCR-HGmod model	Q99527
3D structure model	This predicted structure model is from GPCR-EXP Q99527.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL5872
IUPHAR	221
DrugBank	BE0003446

Ligand

Name	CHEMBL3800024
Molecular formula	C17H16N2O3
IUPAC name	(3aS,4S,9bS)-8-nitro-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
Molecular weight	296.326
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.1
Synonyms	(3aS)-8-Nitro-4beta-phenyl-2,3,3aalpha,4,5,9balpha-hexahydrofuro[3,2-c]quinoline
Inchi Key	NDWLQARHOCEQCI-XKQJLSEDSA-N
Inchi ID	InChI=1S/C17H16N2O3/c20-19(21)12-6-7-15-14(10-12)17-13(8-9-22-17)16(18-15)11-4-2-1-3-5-11/h1-7,10,13,16-18H,8-9H2/t13-,16+,17-/m0/s1
PubChem CID	10803873
ChEMBL	CHEMBL3800024
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Efficacy	50.0 %	MedChemComm, (2016) 7:3:439	ChEMBL

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