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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	SMR000160814
Molecular formula	C24H18BrN3O4
IUPAC name	N-[(E)-[4-(2-anilino-2-oxoethoxy)-3-bromophenyl]methylideneamino]-1-benzofuran-2-carboxamide
Molecular weight	492.329
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	5.1
Synonyms	MolPort-019-756-141 N-[[4-(2-anilino-2-oxoethoxy)-3-bromophenyl]methylideneamino]-1-benzofuran-2-carboxamide BDBM41071 CHEMBL1968356 N-[(E)-[4-(2-anilino-2-oxo-ethoxy)-3-bromo-phenyl]methyleneamino]benzofuran-2-carboxamide STK192864 MLS000324461 N-[[3-bromanyl-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]methylideneamino]-1-benzofuran-2-carboxamide AC1OB2Y4 N-[(E)-[3-bromanyl-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]methylideneamino]-1-benzofuran-2-carboxamide N-[[4-(2-anilino-2-oxoethoxy)-3-bromophenyl]methylideneamino]-2-benzofurancarboxamide BDBM88849 cid_1018684 N-[(E)-[4-(2-anilino-2-oxoethoxy)-3-bromophenyl]methylideneamino]-1-benzofuran-2-carboxamide ZINC33334254 2-(4-{(E)-[2-(1-benzofuran-2-ylcarbonyl)hydrazinylidene]methyl}-2-bromophenoxy)-N-phenylacetamide MolPort-002-970-418 N-[[4-(2-anilino-2-keto-ethoxy)-3-bromo-benzylidene]amino]coumarilamide AKOS000333201 N-[(E)-[4-(2-anilino-2-keto-ethoxy)-3-bromo-benzylidene]amino]coumarilamide cid_6871588 N-[(E)-[4-(2-anilino-2-oxoethoxy)-3-bromophenyl]methylideneamino]-2-benzofurancarboxamide 2-{4-[2-(1-benzofuran-2-ylcarbonyl)carbohydrazonoyl]-2-bromophenoxy}-N-phenylacetamide [ Show all ]
Inchi Key	BIOLJPLPUJUMME-VULFUBBASA-N
Inchi ID	InChI=1S/C24H18BrN3O4/c25-19-12-16(10-11-21(19)31-15-23(29)27-18-7-2-1-3-8-18)14-26-28-24(30)22-13-17-6-4-5-9-20(17)32-22/h1-14H,15H2,(H,27,29)(H,28,30)/b26-14+
PubChem CID	6871588
ChEMBL	CHEMBL1968356
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<92466.0 nM	PubChem BioAssay data set	ChEMBL

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