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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	4-bromo-2-methoxy-6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol
Molecular formula	C16H19BrN4O2
IUPAC name	4-bromo-2-methoxy-6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol
Molecular weight	379.258
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.3
Synonyms	cid_1376210 SR-01000208636-3 4-bromo-2-methoxy-6-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenol AB00084780-01 MolPort-002-149-276 SR-01000208636 4-bromanyl-2-methoxy-6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol HMS2839H08 4-bromo-2-methoxy-6-[[4-(2-pyrimidyl)piperazino]methyl]phenol AC1LQHOW Oprea1_093432 CHEMBL1338732 SR-01000208636-1 MLS001001135 4-bromo-2-methoxy-6-{[4-(2-pyrimidinyl)-1-piperazinyl]methyl}phenol BDBM114628 SMR000496336 [ Show all ]
Inchi Key	BOYYZPFWQQQUAH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H19BrN4O2/c1-23-14-10-13(17)9-12(15(14)22)11-20-5-7-21(8-6-20)16-18-3-2-4-19-16/h2-4,9-10,22H,5-8,11H2,1H3
PubChem CID	1376210
ChEMBL	CHEMBL1338732
IUPHAR	N/A
BindingDB	114628
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	92463.0 nM	PubChem BioAssay data set	ChEMBL
EC50	92470.0 nM	N/A	BindingDB

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