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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	475150-69-7
Molecular formula	C27H35N3O2
IUPAC name	(2R)-1-benzyl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)pyrrolidine-2-carboxamide
Molecular weight	433.596
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.3
Synonyms	(R)-N-(3-(3H-spiro[isobenzofuran-1,4''-piperidine]-1''-yl)propyl)-1-benzylpyrrolidine-2-carboxamide BCP9000378 GTPL7361 0NN BAN ORL 24 HCL C-24 ZINC13679981 (2R)-1-(Phenylmethyl)-N-[3-(spiro[isobenzofuran-1(3H),4'-piperidin]-1-yl)propyl-2-pyrrolidinecarboxamide Banyu Compound-24 compound 24 [PMID: 16451050] (R)-N-(3-(3H-spiro[isobenzofuran-1,4'-piperidine]-1'-yl)propyl)-1-benzylpyrrolidine-2-carboxamide ABP000130 BCPP000353 NCGC00387110-02 1-Benzyl-N-[3-(1'h,3h-Spiro[2-Benzofuran-1,4'-Piperidin]-1'-Yl)propyl]-D-Prolinamide BAN ORL 24HCL (2R)-1-Benzyl-N-(3-spiro[isobenzofuran-1(3H),4'-piperidin]-1'-ylpropyl)-2-pyrrolidinecarboxamide BCP02619 D02NSY (R)-N-(3-(3H-Spiro[isobenzofuran-1,4'-piperidin]-1'-yl)propyl)-1-benzylpyrrolidine-2-carboxamide AKOS027422649 BDBM50181392 QC-2645 (2R)-1-(phenylmethyl)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)pyrrolidine-2-carboxamide 1-benzyl-N-[3-spiro[isobenzofuran-1(3H),4''-piperidine]-1-yl]propyl-D-prolineamide BAN-ORL-24 CHEMBL201945 [ Show all ]
Inchi Key	MAKMQGKJURAJEN-RUZDIDTESA-N
Inchi ID	InChI=1S/C27H35N3O2/c31-26(25-12-6-17-30(25)20-22-8-2-1-3-9-22)28-15-7-16-29-18-13-27(14-19-29)24-11-5-4-10-23(24)21-32-27/h1-5,8-11,25H,6-7,12-21H2,(H,28,31)/t25-/m1/s1
PubChem CID	10296561
ChEMBL	CHEMBL201945
IUPHAR	7361
BindingDB	50181392
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	6700.0 nM	PMID16451050	BindingDB,ChEMBL

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