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GLASS

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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	SMR000176430
Molecular formula	C25H27Cl2N3O
IUPAC name	4-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide;hydrochloride
Molecular weight	456.411
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	None
Synonyms	MolPort-002-169-290 SR-01000432590-1 AC1MFDNA CHEMBL1728158 4-Chloro-N-[2-(1H-indol-3-yl)-ethyl]-N-(8-methyl-8-aza-bicyclo[3.2.1]oct-2-en-3-yl)-benzamide BIM-0048457.P001 MLS000558295 SR-01000432590 4-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-en-3-yl)benzamide hydrochloride [ Show all ]
Inchi Key	CDVUKEJIJJNWBB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H26ClN3O.ClH/c1-28-20-10-11-21(28)15-22(14-20)29(25(30)17-6-8-19(26)9-7-17)13-12-18-16-27-24-5-3-2-4-23(18)24;/h2-9,14,16,20-21,27H,10-13,15H2,1H3;1H
PubChem CID	2870044
ChEMBL	CHEMBL1728158
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	Partition coefficient log P of this ligand is not available.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<92480.0 nM	PubChem BioAssay data set	ChEMBL

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