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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	MLS000117927
Molecular formula	C21H29FN6O3S
IUPAC name	N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
Molecular weight	464.56
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	1.0
Synonyms	BRD-A71019020-001-01-5 N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide ChemDiv3_010039 IDI1_027949 SMR000094875 HMS1501I07 AC1NSFWY CHEMBL1889086 HMS2259C21 [ Show all ]
Inchi Key	CIDYAHGWOOWUMZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H29FN6O3S/c22-18-5-1-2-6-19(18)27-12-10-26(11-13-27)9-7-24-21(29)17-4-3-8-28(15-17)32(30,31)20-14-23-16-25-20/h1-2,5-6,14,16-17H,3-4,7-13,15H2,(H,23,25)(H,24,29)
PubChem CID	5308983
ChEMBL	CHEMBL1889086
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	92498.0 nM	PubChem BioAssay data set	ChEMBL

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