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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	U50488
Molecular formula	C19H26Cl2N2O
IUPAC name	2-(3,4-dichlorophenyl)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide
Molecular weight	369.33
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	4.4
Synonyms	2-(3,4-dichlorophenyl)-N-methyl-N-[(1R,2R)-2-(1-pyrrolidinyl)cyclohexyl]acetamide 83913-06-8 NCGC00016071-01 U 50,488 U50488H 2-(3,4-dichlorophenyl)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]ethanamide BDBM50000296 GTPL1652 NIH 10533 U-50488 (+)-U-50488 67198-13-4 CCG-205330 Lopac0_001256 trans-3,4-dichloro-N-methyl-N-[2-(1-pyrrolidinyl)-cyclohexyl]-benzeneacetamide U50,488H 2-(3,4-dichlorophenyl)-N-methyl-N-[(1R,2R)-2-(pyrrolidin-1-yl)cyclohexyl]acetamide A843453 CHEMBL441765 NCGC00016071-02 U 50488 UM 1382 3,4-Dichloro-N-methyl-N-(2-(1-pyrrolidinyl)-cyclohexyl)-benzeneacetamide, (trans)-Isomer Benzeneacetamide, 3,4-dichloro-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)-, trans- Lopac-U-110 SCHEMBL332193 U-50488H 83913-05-7 CHEBI:73358 LS-28505 trans-3,4-Dichloro-N-methyl-N-[2-(1-pyrrolidinyl)cyclohexyl]-benzeneacetamide 2-(3,4-dichlorophenyl)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide AC1MI0XE D0J1PJ NCGC00163181-01 U-50,488 ZINC643032 C11796 Lopac-U-111 trans-(+/-)-3,4-dichloro-n-methyl-n-(2-[1-pyrrolidinyl]cyclohexyl)benzeneacetamide U50,488 [ Show all ]
Inchi Key	VQLPLYSROCPWFF-QZTJIDSGSA-N
Inchi ID	InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
PubChem CID	3036289
ChEMBL	CHEMBL441765
IUPHAR	1652
BindingDB	50000296
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	24.0 -	PMID7515442	ChEMBL
Control	91.0 %	PMID1319495	ChEMBL
Control	96.0 %	PMID1319495	ChEMBL
Ki	<10000.0 nM	PMID1652025, PMID1323679, PMID23134120, PMID1846921, PMID1319495	BindingDB,ChEMBL
Ki	2500.0 nM	PMID11591513, PMID10633042	BindingDB,ChEMBL
Ki	21000.0 nM	, Bioorg. Med. Chem. Lett., (1992) 2:7:715	BindingDB,ChEMBL

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