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GPCR

Name	Kappa-type opioid receptor
Species	Rattus norvegicus (Rat)
Gene	Oprk1
Synonym	K-OR-1 kappa receptor KOP KOPr KOR-1 OP2 [ Show all ]
Disease	N/A for non-human GPCRs
Length	380
Amino acid sequence	MESPIQIFRGEPGPTCAPSACLLPNSSSWFPNWAESDSNGSVGSEDQQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSAVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLASSVGISAIVLGGTKVREDVDVIECSLQFPDDEYSWWDLFMKICVFVFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITKLVLVVVAVFIICWTPIHIFILVEALGSTSHSTAVLSSYYFCIALGYTNSSLNPVLYAFLDENFKRCFRDFCFPIKMRMERQSTNRVRNTVQDPASMRDVGGMNKPV
UniProt	P34975
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	CHEMBL3614
IUPHAR	318
DrugBank	N/A

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	42M2Y6NU9O 6,7,8,14-Tetrahydro-7alpha-(1-hydroxy-1-methylbutyl)-6,14-endo-ethenooripavine DEA No. 9056 M. 99 [as hydrochloride] ZINC5561290 6,14-endo-Ethenotetrahydrooripavine, 7alpha-((R)-1-hydroxy-1-methylbutyl)- (8CI) 95688-04-3 Propylorvinol (-)-Etorphine 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 19-Propylorvinol 7,8-Dihydro-7-alpha-(1-(R)-hydroxy-1-methylbutyl)-O(sup 6)-methyl-6,14-endo-ethenomorphine EINECS 238-535-9 M99 Injection 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 11022-38-1 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 19478-25-2 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) 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 14521-96-1 [ 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
Ki	0.18 nM	PMID12954070	ChEMBL

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