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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	CHEMBL66387
Molecular formula	C33H36N2O2
IUPAC name	N,N-diethyl-4-[(8-phenacyl-8-azabicyclo[3.2.1]octan-3-ylidene)-phenylmethyl]benzamide
Molecular weight	492.663
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	6.6
Synonyms	BDBM50144227 N,N-Diethyl-4-{[8-(2-oxo-2-phenyl-ethyl)-8-aza-bicyclo[3.2.1]oct-3-ylidene]-phenyl-methyl}-benzamide
Inchi Key	AEIDXTHWUACBSH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C33H36N2O2/c1-3-34(4-2)33(37)27-17-15-26(16-18-27)32(25-13-9-6-10-14-25)28-21-29-19-20-30(22-28)35(29)23-31(36)24-11-7-5-8-12-24/h5-18,29-30H,3-4,19-23H2,1-2H3
PubChem CID	10185016
ChEMBL	CHEMBL66387
IUPHAR	N/A
BindingDB	50144227
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
EC50	173.0 nM	PMID15080989	BindingDB,ChEMBL
Ki	6.3 nM	PMID15080989	BindingDB
Ki	6.31 nM	PMID15080989	ChEMBL
Relative efficacy	0.68 -	PMID15080989	ChEMBL

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