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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	Norbinaltorphimine
Molecular formula	C40H43N3O6
IUPAC name	(1S,2S,7S,8S,12R,20R,24R,32R)-11,33-bis(cyclopropylmethyl)-19,25-dioxa-11,22,33-triazaundecacyclo[24.9.1.18,14.01,24.02,32.04,23.05,21.07,12.08,20.030,36.018,37]heptatriaconta-4(23),5(21),14(37),15,17,26,28,30(36)-octaene-2,7,17,27-tetrol
Molecular weight	661.799
Hydrogen bond acceptor	8
Hydrogen bond donor	5
XlogP	3.2
Synonyms	4,8:11,15-Dimethano-20H-bisbenzofuro(2,3-a:3',2'-i)dipyrido(4,3-b:3',4'-h)carbazole-1,8a,10a,18-tetrol, 7,12-bis(cyclopropylmethyl)-5,6,7,8,9,10,11,12,13,14,19a,20b-dodecahydro-, (4bS,8R,8aS,10aS,11R,14aS,19aR,20bR)- C18130 Lopac0_000806 nor-Binaltorphimine UNII-36OOQ86QM1 11,12,13,14,19a,20b-dodecahydro-, (4bS,8R,8aS,10aS,11R,14aS,19aR,20bR)- 4,8:11,15-Dimethano-20H-bisbenzofuro[2,3-a:3',2'-i]dipyrido[4,3-b:3',4'-h]carbazole-1,8a,10a,18-tetrol, 7,12-bis(cyclopropylmethyl)-5,6,7,8,9,10,11,12,13,14,19a,20b-dodecahydro-, (4bS,8R,8aS,10aS,11R, CHEBI:81529 NCGC00024547-02 17,17'-Bis(cyclopropylmethyl)-6,6',7,7'-tetradehydro-4,5alpha:4',5'alpha-diepoxy-6,6'-imino-7,7'-bi(morphinan)-3,3',14,14'-tetrol APSUXPSYBJVPPS-YAUKWVCOSA-N D05QJS NCGC00024547-06 SCHEMBL12013206 4,8:11,15-Dimethano-20H-bisbenzofuro(2,3-a:3',2'-i)dipyrido(4,3-b:3',4'-h)carbazole-1,8a,10a,18-tetrol, 7,12-bis(cyclopropylmethyl)-5,6,7,8,9,10,11,12,13,14,19a,20b-dodecahydro-20-methyl-, (8R-(4bR,8alpha,8abeta,10aalpha,11beta,14aR,19aalpha,20bbeta))- C40H43N3O6 lpha,8abeta,10aalpha,11beta,14aR,19aalpha,20bbeta))- 4,8:11,15-dimethano-20H-bisbenzofuro[2,3-a:3',2'-i]dipyrido[3,4-h:4',3'-b]carbazole-1,8a,10a,18-tetrol, 7,12-bis(cyclopropylmethyl)-5,6,7,8,9,10, Nor-bni ZINC3995590 14aS,19aR,20bR)- (9CI) 4,8:11,15-Dimethano-20H-bisbenzofuro[2,3-a:3',2'-i]dipyrido[4,3-b:3',4'-h]carbazole-1,8a,10a,18-tetrol, 7,12-bis(cyclopropylmethyl)-5,6,7,8,9,10,11,12,13,14,19a,20b-dodecahydro-, [8R-(4bS,8alpha,8abe NCGC00024547-03 NorBNI 36OOQ86QM1 BDBM82551 GTPL1642 Nor-Binaltorphamine ta,10aalpha,11beta,14aS,19aalpha,20bbeta)]- (-)-norbinaltorphimine 4,8:11,15-Dimethano-20H-bisbenzofuro(2,3-a:3',2'-i)dipyrido(4,3-b:3',4'-h)carbazole-1,8a,10a,18-tetrol,7,12-bis(cyclopropylmethyl)-5,6,7,8,9,10,11,12,13,14,19a,20b-dodecahydro-20-methyl-, (8R-(4bR,8a CCG-204890 LS-62008 NOR-BNI (HCI)2 CHEMBL573214 NCGC00024547-04 PDSP2_001420 [ Show all ]
Inchi Key	APSUXPSYBJVPPS-YAUKWVCOSA-N
Inchi ID	InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
PubChem CID	5480230
ChEMBL	CHEMBL573214
IUPHAR	1642
BindingDB	82551
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Activity	200.0 %	PMID20568781	ChEMBL
EC50	18.9 Ke nM-1	PMID12672258	ChEMBL
EC50	19.0 nM	PMID12672258	BindingDB
EC50	120.0 nM	PMID20568781	BindingDB,ChEMBL
IC50	212.0 nM	PMID20727752, PMID20719509	BindingDB,ChEMBL
Kb	32.9 nM	PMID21958337	ChEMBL
Ke	17.0 nM	PMID21570305	ChEMBL
Ke	18.9 nM	PMID15456250, PMID12519069, PMID24973818, PMID14640558	ChEMBL
Ke	19.0 nM	PMID12825951, PMID12723940, PMID16366600, PMID12139463	ChEMBL
Ke	26.0 nM	PMID26342544, PMID16509593, PMID17685652, PMID19954245	ChEMBL
Ke	26.7 nM	PMID23651437, PMID20568781	ChEMBL
Ki	0.94 nM	PMID10780914	ChEMBL
Ki	0.94 nM	PMID10780914	BindingDB
Ki	2.2 nM	PMID8114680	BindingDB
Ki	2.7 nM	PMID19027293	BindingDB,ChEMBL
Ki	18.9 nM	PMID11055333	ChEMBL
Ki	19.0 nM	PMID11055333	BindingDB
Ki	19.9526 nM	PMID9686407	IUPHAR
Ki	21.0 nM	PMID12672258, PMID9686407, PMID14640558, PMID12519069, PMID24973818, PMID11055333, PMID15456250, PMID12825951	BindingDB,ChEMBL
Ki	32.0 nM	PMID21958337	BindingDB
Ki	32.4 nM	PMID21958337	ChEMBL
Ki	56.0 nM	PMID10893307	BindingDB,ChEMBL
Ki	70.0 nM	PMID10780914	BindingDB,ChEMBL
Ki	79.0 nM	PMID12747782	BindingDB
Ki	79.4 nM	PMID12747782	ChEMBL
Ki	79.9 nM	PMID21744827	ChEMBL
Ki	80.0 nM	PMID21744827	BindingDB
Ratio	1.5 -	PMID12565965	ChEMBL
Ratio	5.6 -	PMID1849995	ChEMBL
Ratio	8.3 -	PMID1849995	ChEMBL