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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	MLS000720325
Molecular formula	C17H22N4S
IUPAC name	1-[2-(dimethylamino)-2-pyridin-3-ylethyl]-3-(2-methylphenyl)thiourea
Molecular weight	314.451
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	2.4
Synonyms	AKOS022042235 SMR000236203 1-[2-(dimethylamino)-2-pyridin-3-yl-ethyl]-3-(2-methylphenyl)thiourea CHEMBL1308389 AC1NOH79 HMS2577M17 MolPort-007-632-993 1-[2-(dimethylamino)-2-(3-pyridinyl)ethyl]-3-(2-methylphenyl)thiourea BDBM83320 SR-01000096490 1-[2-(dimethylamino)-2-pyridin-3-ylethyl]-3-(2-methylphenyl)thiourea cid_5113115 AKOS001503565 MCULE-5457103133 N-[2-(dimethylamino)-2-pyridin-3-ylethyl]-N'-(2-methylphenyl)thiourea 1-[2-(dimethylamino)-2-(3-pyridyl)ethyl]-3-(o-tolyl)thiourea SR-01000096490-1 HMS1625J12 [ Show all ]
Inchi Key	CGRAGOYECIKOMO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H22N4S/c1-13-7-4-5-9-15(13)20-17(22)19-12-16(21(2)3)14-8-6-10-18-11-14/h4-11,16H,12H2,1-3H3,(H2,19,20,22)
PubChem CID	5113115
ChEMBL	CHEMBL1308389
IUPHAR	N/A
BindingDB	83320
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	74615.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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