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GLASS

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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	SMR000130166
Molecular formula	C22H28N4O3
IUPAC name	N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
Molecular weight	396.491
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.4
Synonyms	MLS-0079438.0001 SR-01000092677 AC1NDO8A N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-(2-furfuryl)pyrazinamide ZINC2457437 HMS2355G22 REGID_for_CID_4579040 MLS000519748 SR-01000092677-1 AKOS003636481 CHEMBL1371990 N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide MCULE-7946527939 MolPort-002-957-090 STK149253 BDBM62084 cid_4579040 N-[1-[(cyclopentylamino)-oxomethyl]cyclohexyl]-N-(2-furanylmethyl)-2-pyrazinecarboxamide [ Show all ]
Inchi Key	BXSQZDXBPVRFFZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H28N4O3/c27-20(19-15-23-12-13-24-19)26(16-18-9-6-14-29-18)22(10-4-1-5-11-22)21(28)25-17-7-2-3-8-17/h6,9,12-15,17H,1-5,7-8,10-11,16H2,(H,25,28)
PubChem CID	4579040
ChEMBL	CHEMBL1371990
IUPHAR	N/A
BindingDB	62084
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	<32000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
IC50	<32000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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