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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	G-1
Molecular formula	C21H18BrNO3
IUPAC name	1-[(3aS,4R,9bR)-4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethanone
Molecular weight	412.283
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.6
Synonyms	1-((3aS,4R,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)ethanone AKOS015969580 SR-01000506928-1 1-[4-(6-bromo-benzo[1,3]dioxol-5-yl)-3-alpha-4,5,9-beta-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-ethanone CHEMBL569766 HY-107216 UNM000000675701 925419-53-0 CS-0027669 SCHEMBL12700948 1-(4-(6-Bromobenzo[1,3]dioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)-ethanone BDBM50303803 GTPL1014 SR-01000506928-3 cid_3136849 ML051 UNM000011063001 (+/-)-1-[(3aR,4S,9bS*)-4-(6-Bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]- ethanone AC1NT1SF D0WM5O SR-01000506928 1-[(3aS,4R,9bR)-4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethanone HMS3650I22 STK330808 cid_5322399 MolPort-003-004-976 ZINC4172149 [ Show all ]
Inchi Key	VHSVKVWHYFBIFJ-HKZYLEAXSA-N
Inchi ID	InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m1/s1
PubChem CID	5322399
ChEMBL	CHEMBL569766
IUPHAR	1014
BindingDB	50303803
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	7.0 %	PMID20041667	ChEMBL
Activity	>10.0 %	PMID20041667	ChEMBL
Activity	80.0 %	PMID20041667	ChEMBL
Activity	81.3 %	PMID20041667	ChEMBL
EC50	2.0 nM	PMID16520733, PMID23672690	BindingDB,ChEMBL
EC50	2.0 nM	PMID23672690	BindingDB
IC50	11.0 nM	PMID20041667	BindingDB,ChEMBL
Ki	10.0 nM	PMID16520733	IUPHAR
Ki	11.0 nM	PMID16520733, PMID23672690	BindingDB,ChEMBL
T1/2	0.008333 hr	PMID16520733	ChEMBL

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