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GPCR

Name	Kappa-type opioid receptor
Species	Homo sapiens (Human)
Gene	OPRK1
Synonym	K-OR-1 KOPr OP2 KOP KOR-1 Kappa receptor [ Show all ]
Disease	Obesity Opiate dependence Inflammatory bowel disease Erythema Diarrhea-predominant IBS Unspecified Bipolar disorder Alcohol use disorders Pain Substance dependence Neurodegenerative disease [ Show all ]
Length	380
Amino acid sequence	MDSPIQIFRGEPGPTCAPSACLPPNSSAWFPGWAEPDSNGSAGSEDAQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLSSSVGISAIVLGGTKVREDVDVIECSLQFPDDDYSWWDLFMKICVFIFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVFVVCWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRDFCFPLKMRMERQSTSRVRNTVQDPAYLRDIDGMNKPV
UniProt	P41145
Protein Data Bank	6b73, 4djh
GPCR-HGmod model	P41145
3D structure model	This structure is from PDB ID 6b73.
BioLiP	BL0402244,BL0402246, BL0224693,BL0224694, BL0402243,BL0402245
Therapeutic Target Database	T60693
ChEMBL	CHEMBL237
IUPHAR	318
DrugBank	BE0000632

Ligand

Name	Etorphine
Molecular formula	C25H33NO4
IUPAC name	(1R,2S,6R,14R,15R,19R)-19-[(2R)-2-hydroxypentan-2-yl]-15-methoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-11-ol
Molecular weight	411.542
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	3.1
Synonyms	11022-38-1 6,14-ethenomorphinan-3-ol, 7,8-didehydro-4,5-epoxy-18,19-dihydro-18-[(1R)-1-hydroxy-1-methylbutyl]-6-methoxy-17-methyl-, (5alpha,6beta,14beta,18R)- AC1LD8RO Etorphine (except hydrochloride salt) SCHEMBL20507 19478-25-2 6,14-Ethenomorphinan-7-methanol, 4,5-epoxy-3-hydroxy-6-methoxy-alpha,17-dimethyl-alpha-propyl-, (alphaR,5alpha,7alpha)- (9CI) CHEMBL140050 HSDB 7601 UNII-42M2Y6NU9O 6,14-endo-Ethenotetrahydrooripavine, 7-alpha-(1-hydroxy-1-methylbutyl)- 7-alpha-(1-(R)-Hydroxy-1-methylbutyl)-6,14-endo-ethenotetrahydrooripavine Etorfina [DCIT] Oripavine, 6,14-endo-ethylenetetrahydro-7-(1-hydroxy-1-methylbutyl)- (7CI) 14521-96-1 6,14-Ethenomorphinan-7-methanol, 4,5-epoxy-3-hydroxy-6-methoxy-alpha,17-dimethyl-a-propyl-, [5alpha,7alpha(R)]- BDBM50123599 Etorphine [INN:BAN] Tetrahydro-7-alpha-(1-hydroxy-1-methylbutyl)-6,14-endo-ethenooripavine 42M2Y6NU9O 6,7,8,14-Tetrahydro-7alpha-(1-hydroxy-1-methylbutyl)-6,14-endo-ethenooripavine DEA No. 9056 M. 99 [as hydrochloride] ZINC5561290 (-)-Etorphine 6,14-endo-Ethenotetrahydrooripavine, 7alpha-((R)-1-hydroxy-1-methylbutyl)- (8CI) 95688-04-3 Propylorvinol 19-Propylorvinol 6,14-Ethenomorphinan-7-methanol, 4,5-epoxy-3-hydroxy-6-methoxy-alpha,17-dimethyl-alpha-propyl-, (5alpha,7alpha(R))- Etorphinum Tetrahydro-7-alpha-(2-hydroxy-2-pentyl)-6,14-endo-ethenooripavine 7,8-Dihydro-7-alpha-(1-(R)-hydroxy-1-methylbutyl)-O(sup 6)-methyl-6,14-endo-ethenomorphine EINECS 238-535-9 M99 Injection [ Show all ]
Inchi Key	CAHCBJPUTCKATP-FAWZKKEFSA-N
Inchi ID	InChI=1S/C25H33NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3/t17-,18-,21-,22-,23-,24+,25-/m1/s1
PubChem CID	644209
ChEMBL	CHEMBL140050
IUPHAR	N/A
BindingDB	50123599
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	<50.0 %	PMID26330078	ChEMBL
Ki	0.5 nM	PMID19211245, PMID26330078	ChEMBL
Ki	0.5 nM	PMID26330078	BindingDB

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