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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	E2-COO-
Molecular formula	C27H27O4-
IUPAC name	3-[2-[(13S,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethynyl]benzoate
Molecular weight	415.509
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	5.6
Synonyms	BDBM36491
Inchi Key	OSMIWTQKPZDLCF-GTMPSLOGSA-M
Inchi ID	InChI=1S/C27H28O4/c1-26-12-10-22-21-8-6-20(28)16-18(21)5-7-23(22)24(26)11-14-27(26,31)13-9-17-3-2-4-19(15-17)25(29)30/h2-4,6,8,15-16,22-24,28,31H,5,7,10-12,14H2,1H3,(H,29,30)/p-1/t22?,23?,24?,26-,27-/m0/s1
PubChem CID	50997758
ChEMBL	N/A
IUPHAR	N/A
BindingDB	36491
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	30.0 nM	PMID17655271	BindingDB

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