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GPCR

Name	D(1A) dopamine receptor
Species	Homo sapiens (Human)
Gene	DRD1
Synonym	D1 receptor D1A DADR Gpcr15 dopamine D1 receptor Dopamine-1A receptor [ Show all ]
Disease	Unspecified Hypertension Pain Parkinson's disease Psychiatric disorder Psychotic disorders Schizophrenia Substance dependence Type 2 diabetes Excessive bleeding following childbirth and spontaneous or elective abortion Cocaine addiction Dementia Cognitive disorders [ Show all ]
Length	446
Amino acid sequence	MRTLNTSAMDGTGLVVERDFSVRILTACFLSLLILSTLLGNTLVCAAVIRFRHLRSKVTNFFVISLAVSDLLVAVLVMPWKAVAEIAGFWPFGSFCNIWVAFDIMCSTASILNLCVISVDRYWAISSPFRYERKMTPKAAFILISVAWTLSVLISFIPVQLSWHKAKPTSPSDGNATSLAETIDNCDSSLSRTYAISSSVISFYIPVAIMIVTYTRIYRIAQKQIRRIAALERAAVHAKNCQTTTGNGKPVECSQPESSFKMSFKRETKVLKTLSVIMGVFVCCWLPFFILNCILPFCGSGETQPFCIDSNTFDVFVWFGWANSSLNPIIYAFNADFRKAFSTLLGCYRLCPATNNAIETVSINNNGAAMFSSHHEPRGSISKECNLVYLIPHAVGSSEDLKKEEAAGIARPLEKLSPALSVILDYDTDVSLEKIQPITQNGQHPT
UniProt	P21728
Protein Data Bank	N/A
GPCR-HGmod model	P21728
3D structure model	This predicted structure model is from GPCR-EXP P21728.
BioLiP	N/A
Therapeutic Target Database	T22118
ChEMBL	CHEMBL2056
IUPHAR	214
DrugBank	BE0000020

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	LY-156758 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 [6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone 15189-EP2311840A1 Methanone, (6-hydroxy-2-(4-hydroxyphenyl)benzo(b)thien-3-yl)(4-(2-(1-piperidinyl)ethoxy)phenyl)- 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 [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone LY 139481 15189-EP2316832A1 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 [6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl]-[4-[2-(1-piperidinyl)ethoxy]phenyl]methanone LY139481 2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethoxy]phenyl}carbonyl)-1-benzothiophen-6-ol 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 15189-EP2311842A2 Methanone, [6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]- 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 [6-hydroxy-2-(4-hydroxyphenyl)benzo-[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone LY-139481 15189-EP2316833A1 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 [6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl]-[4-[2-(1piperidinyl)ethoxy]phenyl]methanone MCULE-4598311006 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 [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl]{4-[(2-piperidin-1-ylethyl)oxy]phenyl}methanone 15189-EP2314581A1 Methanone,[6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]- 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 [6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]-[4-[2-(1-piperidyl)ethoxy]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
Activity	-7.2 %	PMID24088053	ChEMBL
IC50	3864.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Inhibition	97.0 %	PMID24088053	ChEMBL
Ki	1932.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Potency	231.1 nM	PubChem BioAssay data set	ChEMBL

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