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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	MLS000552833
Molecular formula	C34H38N4O5
IUPAC name	2-(4-acetamido-N-[2-(1H-indol-3-yl)acetyl]anilino)-N-cyclohexyl-2-(3,4-dimethoxyphenyl)acetamide
Molecular weight	582.701
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	5.0
Synonyms	2-[(4-Acetylamino-phenyl)-(2-1H-indol-3-yl-acetyl)-amino]-N-cyclohexyl-2-(3,4-dimethoxy-phenyl)-acetamide cid_3190761 AKOS000715444 2-(4-acetamido-N-[2-(1H-indol-3-yl)acetyl]anilino)-N-cyclohexyl-2-(3,4-dimethoxyphenyl)acetamide Oprea1_789009 HMS2425D04 ASN 04882375 MLS002536592 2-[(4-acetamidophenyl)-[2-(1H-indol-3-yl)ethanoyl]amino]-N-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanamide CHEMBL1463367 SMR000172871 AC1ML85S MCULE-4709518581 2-(4-acetamido-N-[2-(1H-indol-3-yl)-1-oxoethyl]anilino)-N-cyclohexyl-2-(3,4-dimethoxyphenyl)acetamide BDBM83313 Oprea1_605149 [ Show all ]
Inchi Key	CLVMGLHYNADTTO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C34H38N4O5/c1-22(39)36-26-14-16-27(17-15-26)38(32(40)20-24-21-35-29-12-8-7-11-28(24)29)33(34(41)37-25-9-5-4-6-10-25)23-13-18-30(42-2)31(19-23)43-3/h7-8,11-19,21,25,33,35H,4-6,9-10,20H2,1-3H3,(H,36,39)(H,37,41)
PubChem CID	3190761
ChEMBL	CHEMBL1463367
IUPHAR	N/A
BindingDB	83313
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<92470.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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