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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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GPCR

Name	Mu-type opioid receptor
Species	Homo sapiens (Human)
Gene	OPRM1
Synonym	hMOP M-OR-1 MOP opioid receptor, mu 1 opioid receptor MOPr MOR-1 Mu opiate receptor Mu opioid receptor mu receptor OP3 [ Show all ]
Disease	Diarrhea Inflammatory disease Pain Major depressive disorder Migraine Mild pain Moderate-to-severe acute pain Opioid-induced constipation Opiate dependence Urinary incontinence Movement disorder Obesity Non-small cell lung cancer Systemic pain Headache Analgesia Anesthesia Asthma Cancer pain Chronic pain Constipation Diabetic neuropathy Unspecified Gastrointestinal disease Gastrointestinal disease; Pain General anesthesia Narcotic depression [ Show all ]
Length	400
Amino acid sequence	MDSSAAPTNASNCTDALAYSSCSPAPSPGSWVNLSHLDGNLSDPCGPNRTDLGGRDSLCPPTGSPSMITAITIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKIINVCNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPVLIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALVTIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSNIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETAPLP
UniProt	P35372
Protein Data Bank	N/A
GPCR-HGmod model	P35372
3D structure model	This predicted structure model is from GPCR-EXP P35372.
BioLiP	N/A
Therapeutic Target Database	T47768
ChEMBL	CHEMBL233
IUPHAR	319
DrugBank	BE0000770

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	BDBM88849 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 2-(4-{(E)-[2-(1-benzofuran-2-ylcarbonyl)hydrazinylidene]methyl}-2-bromophenoxy)-N-phenylacetamide cid_1018684 N-[(E)-[4-(2-anilino-2-oxoethoxy)-3-bromophenyl]methylideneamino]-1-benzofuran-2-carboxamide ZINC33334254 AKOS000333201 MolPort-002-970-418 N-[[4-(2-anilino-2-keto-ethoxy)-3-bromo-benzylidene]amino]coumarilamide N-[(E)-[4-(2-anilino-2-keto-ethoxy)-3-bromo-benzylidene]amino]coumarilamide 2-{4-[2-(1-benzofuran-2-ylcarbonyl)carbohydrazonoyl]-2-bromophenoxy}-N-phenylacetamide cid_6871588 N-[(E)-[4-(2-anilino-2-oxoethoxy)-3-bromophenyl]methylideneamino]-2-benzofurancarboxamide BDBM41071 MolPort-019-756-141 N-[[4-(2-anilino-2-oxoethoxy)-3-bromophenyl]methylideneamino]-1-benzofuran-2-carboxamide CHEMBL1968356 N-[(E)-[4-(2-anilino-2-oxo-ethoxy)-3-bromo-phenyl]methyleneamino]benzofuran-2-carboxamide STK192864 AC1OB2Y4 MLS000324461 N-[[3-bromanyl-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]methylideneamino]-1-benzofuran-2-carboxamide [ 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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