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GPCR

Name	Mu-type opioid receptor
Species	Cavia porcellus (Guinea pig)
Gene	OPRM1
Synonym	M-OR-1 MOR-1
Disease	N/A for non-human GPCRs
Length	98
Amino acid sequence	YTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKTVNVCNWI
UniProt	P97266
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	CHEMBL4354
IUPHAR	N/A
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	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 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 D05QJS 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 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, 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 NCGC00024547-03 Nor-Binaltorphamine ta,10aalpha,11beta,14aS,19aalpha,20bbeta)]- 36OOQ86QM1 BDBM82551 GTPL1642 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 LS-62008 NCGC00024547-04 PDSP2_001420 CHEMBL573214 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 Lopac0_000806 [ 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	14.0 -	PMID1849995	ChEMBL
IC50	8.3 nM	PMID8360887	BindingDB,ChEMBL
IC50	18.0 nM	PMID1335078	BindingDB,ChEMBL
IC50 ratio	2.6 -	PMID11405645, PMID10893314	ChEMBL
IC50 ratio	8.3 -	PMID8380614	ChEMBL
Ke	0.572 nM	PMID12747782	ChEMBL
Ke	12.5 nM	PMID11405645, PMID2838632	ChEMBL
Ke	13.0 nM	PMID10893314, PMID2832604	ChEMBL
Ke	13.7 nM	PMID9836606	ChEMBL
Ke	14.0 nM	PMID1849995	ChEMBL
Ke	15.8 nM	PMID12723940	ChEMBL
Ke	16.7 nM	PMID12825951	ChEMBL
Ke	16.75 nM	PMID12723940	ChEMBL
Ke	22.0 nM	PMID1849995	ChEMBL
Ke	26.1 nM	PMID11543672	ChEMBL
Ki	8.3 nM	PMID9686407	BindingDB
Ki	14.8 nM	PMID12565965	ChEMBL
Ki	15.0 nM	PMID12565965	BindingDB
Ki	16.7 nM	PMID11495579	ChEMBL
Ki	16.75 nM	PMID9857089	ChEMBL
Ki	17.0 nM	PMID11495579, PMID9857089	BindingDB
Ki	28.2 nM	PMID21256034, PMID20685120	BindingDB,ChEMBL
Ki	28.4 nM	PMID11543672	BindingDB,ChEMBL
Ki	47.0 nM	PMID8182708, PMID1849995, PMID9857089, PMID8380614	BindingDB,ChEMBL
Ki	47.2 nM	PMID9857089	ChEMBL