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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	raloxifene
Molecular formula	C28H27NO4S
IUPAC name	[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
Molecular weight	473.587
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	6.1
Synonyms	NCGC00015889-02 6-hydroxy-2-(4-hydroxyphenyl)-3-[4-(2-piperidinoethoxy)benzoyl]benzo[b]-thiophene NCGC00092353-04 82640-04-8 (hydrochloride) Prestwick2_000862 API0003075 Raloxifeno [Spanish] BSPBio_000903 SPBio_002824 CCRIS 7129 [6-Hydroxy-2-(4-hydroxy-phenyl)-benzo[b]thiophen-3-yl]-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-methanone DB00481 (6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophen-3-yl)(4-(2-(piperidin-1-yl)ethoxy)phenyl)methanone GZUITABIAKMVPG-UHFFFAOYSA-N 15189-EP2295426A1 KBioGR_002361 15189-EP2311825A1 LY-156758 [6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl]-[4-[2-(1-piperidinyl)ethoxy]phenyl]methanone NCGC00015889-06 6-hydroxy-2-(4-hydroxyphenyl)-3[-4-(2-piperidinoethoxy)benzoyl]benzo [b]thiophene NSC747974 AC-8399 Raloxifene (extended-release, CDT) BDBM19441 Raxeto (TN) C28H27NO4S VU0155042-3 CHEMBL81 DSSTox_RID_77076 15189-EP2280012A2 KB-145991 15189-EP2301933A1 Lopac-R-1402 15189-EP2311840A1 Methanone, (6-hydroxy-2-(4-hydroxyphenyl)benzo(b)thien-3-yl)(4-(2-(1-piperidinyl)ethoxy)phenyl)- MRF-0000684 6-hydroxy-2-(4-hydoxyphenyl)-3[-4-(2-piperidinoethoxy)benzoyl]benzo[b]thiophene NCGC00015889-10 6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl 4-[2-(1-piperidinyl)ethoxy]phenyl methanone Prestwick0_000862 AKOS015896267 Raloxifene, 6 BPBio1_000995 SCHEMBL6144 CC-34210 [2-(4-Hydroxyphenyl)-6-hydroxybenzo[b]thien-3-yl][4-(2-(1-piperidinyl)ethoxy)phenyl]methanone D01XBA FT-0630926 15189-EP2292615A1 KBio2_007497 15189-EP2308855A1 LY 139481 15189-EP2316832A1 [6-hydroxy-2-(4-hydroxyphenyl)benzo-[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone NCGC00015889-04 6-hydroxy-2-(4-hydroxyphenyl)-3-[4-(2-piperidinoethoxy)benzoyl]benzo[b]thiophene NCGC00260151-01 84449-90-1 Prestwick3_000862 AS-35086 Raloxifenum C-22734 Tox21_202603 CHEBI:8772 [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl][4-(2-piperidin-1-ylethoxy)phenyl]methanone DSSTox_CID_3550 15189-EP2270008A1 HMS2089F06 15189-EP2295427A1 KBioSS_002364 15189-EP2311827A1 LY139481 2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethoxy]phenyl}carbonyl)-1-benzothiophen-6-ol [6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl]-[4-[2-(1piperidinyl)ethoxy]phenyl]methanone 449R901 NCGC00015889-07 6-hydroxy-2-(4-hydroxyphenyl)-3[-4-(2-piperidinoethoxy)benzoyl]benzo[b]thiophene Optruma AC1L1JGT Raloxifene (INN) BIDD:ER0216 SBI-0051021.P002 CAS-82640-04-8 YX9162EO3I cid_11071264 DTXSID3023550 15189-EP2281815A1 KBio2_002361 15189-EP2305640A2 Lopac0_001051 15189-EP2311842A2 Methanone, [6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]- [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl]{4-[(2-piperidin-1-ylethyl)oxy]phenyl}methanone NCGC00015889-01 6-Hydroxy-2-(4-Hydroxyphenyl)-3-[4(2-Piperidinoethoxy)benzoyl]benzo[b]thiophene NCGC00092353-02 6-hydroxy-2-(4-hyroxyphenyl)-3-[4-(2-piperidinoethoxy)benzoyl]benzo[b]thiophene Prestwick1_000862 AN-8070 Raloxifeno BRD-K63828191-003-11-5 SMP2_000095 CCG-205128 [2-(4-hydroxyphenyl)-6-hydroxybenzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone D08465 (2-(4-Hydroxyphenyl)-6-hydroxybenzo(b)thien-3-yl)(4-(2-(1-piperidinyl)ethoxy)phenyl)methanone GTPL2820 15189-EP2292617A1 KBio3_002840 15189-EP2311808A1 LY-139481 15189-EP2316833A1 [6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]-[4-[2-(1-piperidyl)ethoxy]phenyl]methanone 2-(4-hydroxyphenyl)-3-{4-[2-(piperidin-1-yl)ethoxy]benzoyl}-1-benzothiophen-6-ol NCGC00015889-05 6-hydroxy-2-(4-hydroxyphenyl)-3-[4-(2piperidinoethoxy)-benzoyl]benzo[b]thiophene NSC-747974 AB0073011 BCP09772 Raloxifenum [Latin] C07228 UNII-YX9162EO3I DSSTox_GSID_23550 15189-EP2272825A2 HSDB 7460 15189-EP2301928A1 Keoxifene 15189-EP2311829A1 MCULE-4598311006 [6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone 6-hydroxy-2-(4-hydoxyphenyl)-3-[4-(2-piperidinoethoxy)benzoyl]benzo[b]thiophene NCGC00015889-08 6-hydroxy-2-(4-hydroxyphenyl)-3[-4-(2piperidinoethoxy)benzoyl]benzo[b]thiophene Pharoxifene AJ-23384 Raloxifene [INN:BAN] BIDD:GT0795 SC-17311 CAS-84449-90-1 ZINC538275 cMAP_000032 Eviden (TN) 15189-EP2289892A1 KBio2_004929 15189-EP2305671A1 LS-177821 15189-EP2314581A1 Methanone,[6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]- [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone [ Show all ]
Inchi Key	GZUITABIAKMVPG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
PubChem CID	5035
ChEMBL	CHEMBL81
IUPHAR	2820
BindingDB	19441
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	100.0 nM	PMID24379833	IUPHAR

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