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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	MLS000547944
Molecular formula	C19H21ClN4
IUPAC name	2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1-methylbenzimidazole
Molecular weight	340.855
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	3.5
Synonyms	2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1-methylbenzimidazole CHEMBL1440652 2-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-1-methylbenzimidazole BDBM83296 SMR000115764 2-[[4-(3-chlorophenyl)piperazino]methyl]-1-methyl-benzimidazole cid_851992 AC1LGUE0 MolPort-002-847-894 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1-methyl-benzimidazole ZINC19923764 2-{[4-(3-chlorophenyl)-1-piperazinyl]methyl}-1-methyl-1H-benzimidazole HMS2402B03 AQ-360/43173483 SCHEMBL4154137 [ Show all ]
Inchi Key	DGGCMRLNBJCGGO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H21ClN4/c1-22-18-8-3-2-7-17(18)21-19(22)14-23-9-11-24(12-10-23)16-6-4-5-15(20)13-16/h2-8,13H,9-12,14H2,1H3
PubChem CID	851992
ChEMBL	CHEMBL1440652
IUPHAR	N/A
BindingDB	83296
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	<92467.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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