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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	Rattus norvegicus (Rat)
Gene	Oprm1
Synonym	Opioid receptor B opioid receptor OP3 mu receptor MOR-1 MOPr MOP M-OR-1 opioid receptor, mu 1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	398
Amino acid sequence	MDSSTGPGNTSDCSDPLAQASCSPAPGSWLNLSHVDGNQSDPCGLNRTGLGGNDSLCPQTGSPSMVTAITIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKIVNVCNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPVLIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRVRQNTREHPSTANTVDRTNHQLENLEAETAPLP
UniProt	P33535
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL270
IUPHAR	319
DrugBank	N/A

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	NCGC00024547-02 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 D05QJS NCGC00024547-06 SCHEMBL12013206 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 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 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 NCGC00024547-03 NorBNI 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 GTPL1642 Nor-Binaltorphamine ta,10aalpha,11beta,14aS,19aalpha,20bbeta)]- 36OOQ86QM1 BDBM82551 LS-62008 NOR-BNI (HCI)2 (-)-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 NCGC00024547-04 PDSP2_001420 CHEMBL573214 Lopac0_000806 nor-Binaltorphimine UNII-36OOQ86QM1 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 [ 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
Ke	2.38 nM	PMID15743210	ChEMBL
Ki	0.22 nM	PMID11300867	BindingDB,ChEMBL
Ki	0.39 nM	PMID11300867	BindingDB,ChEMBL
Ki	1.2 nM	PMID15743210	ChEMBL
Ki	8.3 nM	PMID14761209	BindingDB,ChEMBL
Ki	15.8 nM	PMID11495579	ChEMBL
Ki	16.0 nM	PMID11495579	BindingDB
Ki	49.7 nM	PMID10893314	ChEMBL
Ki	56.6 nM	PMID11300867	ChEMBL
Ki	56.6 nM	PMID11300867	BindingDB
Ki	65.0 nM	PMID14761209, PMID11495579, PMID12825951, PMID12139463	BindingDB,ChEMBL
Ki	65.06 nM	PMID11495579	ChEMBL
Ki	101.9 nM	PMID9836606	ChEMBL
Ki	102.0 nM	PMID9836606	BindingDB

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