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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	AC1LTR2R
Molecular formula	C19H16N2O6S2
IUPAC name	4-hydroxy-N-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methoxybenzamide
Molecular weight	432.465
Hydrogen bond acceptor	8
Hydrogen bond donor	3
XlogP	3.4
Synonyms	BDBM48102 SMR000540319 4-hydroxy-N-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methoxybenzamide CHEMBL1606916 ST50055240 (4-hydroxy-3-methoxyphenyl)-N-{5-[(4-hydroxy-3-methoxyphenyl)methylene]-4-oxo- 2-thioxo(1,3-thiazolidin-3-yl)}carboxamide MLS001164981 301227-50-9 4-hydroxy-N-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-3-methoxybenzamide BIM-0032641.P001 SR-01000218993 5751-03-1 cid_1567094 ZINC12569841 (Z)-4-hydroxy-N-(5-(4-hydroxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-methoxybenzamide AKOS001020828 MolPort-000-436-921 4-hydroxy-N-[(5Z)-4-keto-2-thioxo-5-vanillylidene-thiazolidin-3-yl]-3-methoxy-benzamide 4-hydroxy-N-[5-(4-hydroxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-3-methoxybenzamide SR-01000218993-1 AB00095755-01 DTXSID20364439 3-methoxy-N-[(5Z)-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-oxidanyl-benzamide [ Show all ]
Inchi Key	HBMGNBUJVFZDIY-PXNMLYILSA-N
Inchi ID	InChI=1S/C19H16N2O6S2/c1-26-14-7-10(3-5-12(14)22)8-16-18(25)21(19(28)29-16)20-17(24)11-4-6-13(23)15(9-11)27-2/h3-9,22-23H,1-2H3,(H,20,24)/b16-8-
PubChem CID	1567094
ChEMBL	CHEMBL1606916
IUPHAR	N/A
BindingDB	48102
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	<32000.0 nM	PubChem BioAssay data set	ChEMBL

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