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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	SMR000211820
Molecular formula	C23H21N5O2
IUPAC name	2-methyl-4-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]quinoline
Molecular weight	399.454
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	4.4
Synonyms	A2409/0102076 MCULE-1722260992 STK068794 BDBM83317 Oprea1_580085 1-(2-methyl(4-quinolyl))-4-(5-nitro(8-quinolyl))piperazine cid_2885420 SR-01000452384-1 2-methyl-4-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]quinoline AC1MEWOU MLS000587739 ZINC18121970 2-methyl-4-[4-(5-nitro-8-quinolinyl)-1-piperazinyl]quinoline HMS2540G07 ST053402 AKOS000442244 MolPort-000-824-650 CHEMBL1545927 SR-01000452384 2-methyl-4-[4-(5-nitro-8-quinolyl)piperazino]quinoline [ Show all ]
Inchi Key	BDDPXUZRHMQXHU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H21N5O2/c1-16-15-22(17-5-2-3-7-19(17)25-16)27-13-11-26(12-14-27)21-9-8-20(28(29)30)18-6-4-10-24-23(18)21/h2-10,15H,11-14H2,1H3
PubChem CID	2885420
ChEMBL	CHEMBL1545927
IUPHAR	N/A
BindingDB	83317
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	<92489.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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