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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	CHEMBL231866
Molecular formula	C27H29Cl2N3O2
IUPAC name	1-[[2-[1-[bis(2-chlorophenyl)methyl]-4-hydroxypiperidin-4-yl]phenyl]methyl]-3-methylurea
Molecular weight	498.448
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	4.8
Synonyms	BDBM50210234 1-(2-(1-(bis(2-chlorophenyl)methyl)-4-hydroxypiperidin-4-yl)benzyl)-3-methylurea
Inchi Key	BIEVVYOAIBNIOD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H29Cl2N3O2/c1-30-26(33)31-18-19-8-2-5-11-22(19)27(34)14-16-32(17-15-27)25(20-9-3-6-12-23(20)28)21-10-4-7-13-24(21)29/h2-13,25,34H,14-18H2,1H3,(H2,30,31,33)
PubChem CID	44430079
ChEMBL	CHEMBL231866
IUPHAR	N/A
BindingDB	50210234
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	198.0 nM	PMID17420123	BindingDB,ChEMBL

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