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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	Etonitazene
Molecular formula	C22H28N4O3
IUPAC name	2-[2-[(4-ethoxyphenyl)methyl]-5-nitrobenzimidazol-1-yl]-N,N-diethylethanamine
Molecular weight	396.491
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.3
Synonyms	UNII-9U3GT3353T 2-p-ethoxybenzyl-1-(2-diethylaminoethyl)-5-nitrobenzimidazole 77014-EP2298765A1 Ba-20684 CHEMBL312040 DSSTox_RID_83114 Etonitazenum LS-32849 PDSP1_001558 1-(2-Diethylaminoethyl)-2-(p-ethoxybenzyl)-5-nitrobenzimidazole 5-23-12-00348 (Beilstein Handbook Reference) 9U3GT3353T Benzimidazole, 1-[2-(diethylamino)ethyl]-2-(p-ethoxybenzyl)-5-nitro- D0U3UM Etobedolum Etonitazine SCHEMBL25183 1H-Benzimidazole-1-ethanamine, 2-((4-ethoxyphenyl)methyl)-N,N-diethyl-5-nitro- (9CI) 77014-EP2280008A2 ARC 1G2 CAS-911-65-9 DSSTox_CID_28845 Etonitazeno HY-101645 ZINC4215955 2-[2-(4-Ethoxybenzyl)-5-nitro-1H-benzimidazol-1-yl]-N,N-diethylethanamine # 77014-EP2308509A1 BDBM50013847 Ciba 20-684BA DTXSID6048919 Etonitazenum [INN-Latin] NIH 7607 PDSP2_001542 AC1L21U9 BRN 0363324 DB01462 Etonitazinum Tox21_112830 1H-Benzimidazole-1-ethanamine, 2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-5-nitro- 77014-EP2298764A1 Ba 20684 DSSTox_GSID_48919 Etonitazeno [INN-Spanish] L000697 {2-[2-(4-Ethoxy-benzyl)-5-nitro-benzoimidazol-1-yl]-ethyl}-diethyl-amine 1-(2-(Diethylamino)ethyl)-2-(p-ethoxybenzyl)-5-nitrobenzimidazole 2-[2-[(4-ethoxyphenyl)methyl]-5-nitrobenzimidazol-1-yl]-N,N-diethylethanamine 911-65-9 BENZIMIDAZOLE, 1-(2-(DIETHYLAMINO)ETHYL)-2-(p-ETHOXYBENZYL)-5-NITRO- CS-6622 EINECS 213-009-1 etonitazin NIH-7607 PXDBZSCGSQSKST-UHFFFAOYSA-N 1H-Benzimidazole-1-ethanamine, 2-((4-ethoxyphenyl)methyl)-N,N-diethyl-5-nitro- 77014-EP2275420A1 AC1Q21HU C22H28N4O3 DEA No. 9624 Etonitazene [INN:BAN:DCF] GTPL1624 [ Show all ]
Inchi Key	PXDBZSCGSQSKST-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H28N4O3/c1-4-24(5-2)13-14-25-21-12-9-18(26(27)28)16-20(21)23-22(25)15-17-7-10-19(11-8-17)29-6-3/h7-12,16H,4-6,13-15H2,1-3H3
PubChem CID	13493
ChEMBL	CHEMBL312040
IUPHAR	1624
BindingDB	50013847
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	0.199526 nM	PMID9686407	IUPHAR
Ki	0.2 nM	PMID9686407	PDSP,BindingDB

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