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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	MLS000698493
Molecular formula	C21H25ClN2O2
IUPAC name	N-[(3-chloro-4,5-diethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine
Molecular weight	372.893
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	4.9
Synonyms	BDBM88460 MolPort-000-865-400 CHEMBL1346904 N-[(3-chloranyl-4,5-diethoxy-phenyl)methyl]-2-(1H-indol-3-yl)ethanamine (3-chloro-4,5-diethoxy-benzyl)-[2-(1H-indol-3-yl)ethyl]amine AKOS001479339 MCULE-9997398481 STK510480 CCG-121881 N-(3-chloro-4,5-diethoxybenzyl)-2-(1H-indol-3-yl)ethanamine cid_1818022 N-[(3-chloro-4,5-diethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine AN-465/42889737 ZINC2181924 N-(3-chloro-4,5-diethoxybenzyl)-N-[2-(1H-indol-3-yl)ethyl]amine HMS2554A08 SMR000228921 AC1LYAPE [ Show all ]
Inchi Key	APABSGRYLLJSEU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H25ClN2O2/c1-3-25-20-12-15(11-18(22)21(20)26-4-2)13-23-10-9-16-14-24-19-8-6-5-7-17(16)19/h5-8,11-12,14,23-24H,3-4,9-10,13H2,1-2H3
PubChem CID	1818022
ChEMBL	CHEMBL1346904
IUPHAR	N/A
BindingDB	88460
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<92474.0 nM	N/A	BindingDB

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