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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	MLS000699691
Molecular formula	C22H21ClN2O5
IUPAC name	5-[(2-chlorophenoxy)methyl]-N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]furan-2-carboxamide
Molecular weight	428.869
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.7
Synonyms	cid_6874399 5-[(2-chlorophenoxy)methyl]-N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]furan-2-carboxamide MolPort-019-751-929 5-[(2-chloranylphenoxy)methyl]-N-[(E)-(2,4-dimethoxy-3-methyl-phenyl)methylideneamino]furan-2-carboxamide AK-968/40642442 ST026034 5-[(2-chlorophenoxy)methyl]-N-[(E)-(2,4-dimethoxy-3-methyl-benzylidene)amino]-2-furamide N-[(1E)-2-(2,4-dimethoxy-3-methylphenyl)-1-azavinyl]{5-[(2-chlorophenoxy)methy l](2-furyl)}carboxamide 5-[(2-chlorophenoxy)methyl]-N'-(2,4-dimethoxy-3-methylbenzylidene)-2-furohydrazide AKOS003302279 CHEMBL1994163 STK452595 5-[(2-chlorophenoxy)methyl]-N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]-2-furancarboxamide MolPort-001-567-059 AC1OB7KD BDBM88459 SMR000227699 5-[(2-chlorophenoxy)methyl]-N'-[(E)-(2,4-dimethoxy-3-methylphenyl)methylidene]furan-2-carbohydrazide [ Show all ]
Inchi Key	ALSZPRQIWXWJGV-WYMPLXKRSA-N
Inchi ID	InChI=1S/C22H21ClN2O5/c1-14-18(27-2)10-8-15(21(14)28-3)12-24-25-22(26)20-11-9-16(30-20)13-29-19-7-5-4-6-17(19)23/h4-12H,13H2,1-3H3,(H,25,26)/b24-12+
PubChem CID	6874399
ChEMBL	CHEMBL1994163
IUPHAR	N/A
BindingDB	88459
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	<64587.0 nM	N/A	BindingDB

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