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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	MLS000731911
Molecular formula	C23H28FN3OS
IUPAC name	1-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-4-(methoxymethyl)piperidine
Molecular weight	413.555
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.6
Synonyms	BDBM83346 SMR000316480 cid_16190127 1-[[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-4-(methoxymethyl)piperidine 1-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-4-(methoxymethyl)piperidine ZINC13593387 HMS2767G22 1-[[3-(2,5-dimethyl-3-thiophenyl)-1-(2-fluorophenyl)-4-pyrazolyl]methyl]-4-(methoxymethyl)piperidine MolPort-005-113-753 CHEMBL1572068 MCULE-8594165509 1-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-4-(methoxymethyl)piperidine [ Show all ]
Inchi Key	AVXGHKWEEAVFKR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H28FN3OS/c1-16-12-20(17(2)29-16)23-19(13-26-10-8-18(9-11-26)15-28-3)14-27(25-23)22-7-5-4-6-21(22)24/h4-7,12,14,18H,8-11,13,15H2,1-3H3
PubChem CID	16190127
ChEMBL	CHEMBL1572068
IUPHAR	N/A
BindingDB	83346
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	<92465.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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