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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	Naloxone(-)
Molecular formula	C19H21NO4
IUPAC name	4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Molecular weight	327.38
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	2.1
Synonyms	BRD-A37541666-003-01-6 Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5.alpha.)- SCHEMBL10031249 17-Allyl-4,5-.alpha.-epoxy-3,14-dihydroxymorphinan-6-one CHEMBL609673 AC1L1I51 Morphinan-6-one, 17-allyl-4,5.alpha.-epoxy-3,14-dihydroxy- NSC_10064 CAS_465-65-6 Morphinan-6-one, 4,5.alpha.-epoxy-3,14-dihydroxy-17-(2-propenyl)- UZHSEJADLWPNLE-UHFFFAOYSA-N 4aH-8,9c-Iminoethanophenanthro(4,5-bcd)furan-5(6H)-one, N-allyl-7,7a,8,9-tetrahydro-3,7a-dihydroxy- L000674 Narcan (Salt/Mix) BDBM86260 Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propen-1-yl)-, (5.alpha.)- Oprea1_030545 12-Allyl-7,7a,8,9-tetrahydro-3,7a-dihydroxy-4aH-8,9c-iminoethanophenanthro(4,5-bcd)furan-5-one CHEBI:91663 Nalone (Salt/Mix) MCULE-7816779766 Normorphinone, N-allyl-dihydro-14-hydroxy- [ Show all ]
Inchi Key	UZHSEJADLWPNLE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2
PubChem CID	4425
ChEMBL	N/A
IUPHAR	N/A
BindingDB	86260
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	17.0 nM	PMID8114680	PDSP
Ki	33.0 nM	PMID18313920	PDSP,BindingDB
Ki	37.0 nM	PMID12747782	PDSP
Ki	51.0 nM	PMID20055417	PDSP
Ki	66.2 nM	PMID15590769	PDSP,BindingDB
Ki	67.5 nM	PMID9686407	PDSP
Ki	76.0 nM	PMID17407276	PDSP
Ki	120.0 nM	PMID19027293	PDSP
Ki	141.3 nM	PMID7932177	PDSP
Ki	488.0 nM	PMID15054115	PDSP,BindingDB
Ki	1000.0 nM	PMID7932177	PDSP

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