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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	MLS000528029
Molecular formula	C20H20N2O5S
IUPAC name	N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide
Molecular weight	400.449
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	3.7
Synonyms	N-[2,5-diethoxy-4-(thiophen-2-ylcarbonylamino)phenyl]furan-2-carboxamide Furan-2-carboxylic acid {2,5-diethoxy-4-[(thiophene-2-carbonyl)-amino]-phenyl}-amide Oprea1_698683 ASN 03019219 CHEMBL1404955 N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide SMR000120603 AC1LRNFG HMS2162E17 BDBM48458 N-[2,5-diethoxy-4-(2-thenoylamino)phenyl]-2-furamide cid_1374340 N-[2,5-diethoxy-4-[[oxo(thiophen-2-yl)methyl]amino]phenyl]-2-furancarboxamide ZINC1223642 AKOS000718859 HMS3325E06 [ Show all ]
Inchi Key	AGWFGPCZMMBBOZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H20N2O5S/c1-3-25-16-12-14(22-20(24)18-8-6-10-28-18)17(26-4-2)11-13(16)21-19(23)15-7-5-9-27-15/h5-12H,3-4H2,1-2H3,(H,21,23)(H,22,24)
PubChem CID	1374340
ChEMBL	CHEMBL1404955
IUPHAR	N/A
BindingDB	48458
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	<92329.0 nM	N/A	BindingDB

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