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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	7-chloro-N-methyl-4-nitro-2,1,3-benzoxadiazol-5-amine
Molecular formula	C7H5ClN4O3
IUPAC name	7-chloro-N-methyl-4-nitro-2,1,3-benzoxadiazol-5-amine
Molecular weight	228.592
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.2
Synonyms	7-chloranyl-N-methyl-4-nitro-2,1,3-benzoxadiazol-5-amine CHEMBL1585390 SR-01000597182 AKOS000606693 MCULE-4885184686 ZINC4894752 332164-07-5 C7H5ClN4O3 REGID_for_CID_3128197 cid_3128197 SR-01000597182-1 (7-chloro-4-nitro-benzofurazan-5-yl)-methyl-amine BAS 01237148 MLS000678355 SMR000285240 AC1MIXRB HMS2640N19 STL040633 (7-Chloro-4-nitro-benzo[1,2,5]oxadiazol-5-yl)-methyl-amine BDBM54818 MolPort-000-771-073 [ Show all ]
Inchi Key	BPSVRTPLRKLEPP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C7H5ClN4O3/c1-9-4-2-3(8)5-6(11-15-10-5)7(4)12(13)14/h2,9H,1H3
PubChem CID	3128197
ChEMBL	CHEMBL1585390
IUPHAR	N/A
BindingDB	54818
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	<32000.0 nM	PubChem BioAssay data set	ChEMBL
IC50	10371.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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