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GPCR

Name	Delta-type opioid receptor
Species	Homo sapiens (Human)
Gene	OPRD1
Synonym	D-OR-1 DOR opioid receptor OP1 DOP DOPr DOR-1 Delta receptor [ Show all ]
Disease	Cough Overactive bladder disorder Bladder disease Moderate-to-severe pain Diarrhea-predominant IBS Major depressive disorder Urinary incontinence Rheumatoid arthritis Premature ejaculation Pain Acute migraine Ischemic heart diseases Acute nonspecific diarrhea; Chronic diarrhea associated with inflammatory bowel disease Alcohol use disorders Anxiety disorder [ Show all ]
Length	372
Amino acid sequence	MEPAPSAGAELQPPLFANASDAYPSACPSAGANASGPPGARSASSLALAIAITALYSAVCAVGLLGNVLVMFGIVRYTKMKTATNIYIFNLALADALATSTLPFQSAKYLMETWPFGELLCKAVLSIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPAKAKLINICIWVLASGVGVPIMVMAVTRPRDGAVVCMLQFPSPSWYWDTVTKICVFLFAFVVPILIITVCYGLMLLRLRSVRLLSGSKEKDRSLRRITRMVLVVVGAFVVCWAPIHIFVIVWTLVDIDRRDPLVVAALHLCIALGYANSSLNPVLYAFLDENFKRCFRQLCRKPCGRPDPSSFSRAREATARERVTACTPSDGPGGGAAA
UniProt	P41143
Protein Data Bank	4rwd, 4rwa, 4n6h
GPCR-HGmod model	P41143
3D structure model	This structure is from PDB ID 4rwd.
BioLiP	BL0303696,BL0303697, BL0265712, BL0265705,BL0265706,BL0265707,, BL0303699,BL0303701, BL0303698,BL0303700
Therapeutic Target Database	T58992
ChEMBL	CHEMBL236
IUPHAR	317
DrugBank	BE0000420

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	[6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl]-[4-[2-(1-piperidinyl)ethoxy]phenyl]methanone 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)- NCGC00015889-06 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 MRF-0000684 6-hydroxy-2-(4-hydoxyphenyl)-3[-4-(2-piperidinoethoxy)benzoyl]benzo[b]thiophene [6-hydroxy-2-(4-hydroxyphenyl)benzo-[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone 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 NCGC00015889-04 [6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl]-[4-[2-(1piperidinyl)ethoxy]phenyl]methanone 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]- 449R901 [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl]{4-[(2-piperidin-1-ylethyl)oxy]phenyl}methanone 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 NCGC00015889-01 6-Hydroxy-2-(4-Hydroxyphenyl)-3-[4(2-Piperidinoethoxy)benzoyl]benzo[b]thiophene [6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]-[4-[2-(1-piperidyl)ethoxy]phenyl]methanone 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 2-(4-hydroxyphenyl)-3-{4-[2-(piperidin-1-yl)ethoxy]benzoyl}-1-benzothiophen-6-ol NCGC00015889-05 [6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone 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-hydoxyphenyl)-3-[4-(2-piperidinoethoxy)benzoyl]benzo[b]thiophene [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone 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 NCGC00015889-02 6-hydroxy-2-(4-hydroxyphenyl)-3-[4-(2-piperidinoethoxy)benzoyl]benzo[b]-thiophene [ 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
IC50	6644.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	2342.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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