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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	1-(ethylsulfonyl)-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}piperidine-4-carboxamide
Molecular formula	C21H33FN4O3S
IUPAC name	1-ethylsulfonyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]piperidine-4-carboxamide
Molecular weight	440.578
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	1.7
Synonyms	IDI1_029802 AC1MMIKT MLS001389296 HMS1511M12 ZINC4057184 1-ethylsulfonyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]piperidine-4-carboxamide MCULE-4014727138 AKOS002124768 CHEMBL1741473 MolPort-007-935-952 HMS2473K08 AB00405859-09 BRD-K56887980-001-01-0 MLS000096290 ChemDiv3_013652 SMR000032239 [ Show all ]
Inchi Key	HELQBULJEYEPSM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H33FN4O3S/c1-2-30(28,29)26-12-8-18(9-13-26)21(27)23-10-5-11-24-14-16-25(17-15-24)20-7-4-3-6-19(20)22/h3-4,6-7,18H,2,5,8-17H2,1H3,(H,23,27)
PubChem CID	3239323
ChEMBL	CHEMBL1741473
IUPHAR	N/A
BindingDB	N/A
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	92480.0 nM	PubChem BioAssay data set	ChEMBL

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