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GPCR

Name	Kappa-type opioid receptor
Species	Cavia porcellus (Guinea pig)
Gene	OPRK1
Synonym	K-OR-1 KOR-1
Disease	N/A for non-human GPCRs
Length	380
Amino acid sequence	MGRRRQGPAQPASELPARNACLLPNGSAWLPGWAEPDGNGSAGPQDEQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLSSSVGISAIILGGTKVREDVDIIECSLQFPDDDYSWWDLFMKICVFVFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVFIICWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRDFCFPIKMRMERQSTSRVRNTVQDPAYMRNVDGVNKPV
UniProt	P41144
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	CHEMBL3952
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	Diprenorphine
Molecular formula	C26H35NO4
IUPAC name	(1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-16-(2-hydroxypropan-2-yl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol
Molecular weight	425.569
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	3.6
Synonyms	6,14-Ethenomorphinan-7-methanol, 17-(cyclopropylmethyl)-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-alpha,alpha-dimethyl-, (5alpha,7alpha)- Diprenorfina EINECS 238-325-7 RX 5050M 1F0L5N25ZZ 2-[3-cyclopropylmethyl-11-hydroxy-15-methoxy-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7(12),8,10-trien-16-yl]-2-propanol AKOS024457358 D0O6SB Diprenorphine (INN) M 5050 ZINC4102215 (5alpha,7alpha)-17-(Cyclopropylmethyl)-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-alpha,alpha-dimethyl-6,14-ethenomorphinan-7-methanol 6,14-endo-Ethanotetrahydrooripavine, 21-cyclopropyl-7a-(1-hydroxy-1-methylethyl)- (8CI) 1-N-Cyclopropylmethyl-6,7,8,14-tetrahydro-6,14-endoethano-7-(2'-hydroxy-2'-propyl)nororipavine C11794 DEA No. 9058 Diprenorphinum M50-50 16808-86-9 (hydrochloride) 6,14-Ethenomorphinan-7-methanol, 17-(cyclopropylmethyl)-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-alpha,alpha-dimethyl-, (5alpha,7alpha)- (9CI) CHEMBL281786 Diprenorfina [INN-Spanish] epoxy-18,19-dihydro-3-hydroxy-6-methoxy-alpha,alpha-dimethyl-, (5alpha,7alpha)- SCHEMBL164910 2-[3-cyclopropylmethyl-11-hydroxy-15-methoxy-(1S,2R,6S,14R,15R,16R)-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7,9,11-trien-16-yl]-2-propanol 21-Cyclopropyl-6,7,8,14-tetrahydro-7alpha-(1-hydroxy-1-methylethyl)-6,14-endo-ethanooripavine API0004768 Diprenorphine [INN:BAN] M 5050 Injection 14357-78-9 6,14-ethenomorphinan-3-ol, 17-(cyclopropylmethyl)-4,5-epoxy-18,19-dihydro-18-(1-hydroxy-1-methylethyl)-6-methoxy-, (5alpha,6beta,14beta,18R)- CHEBI:4650 Diprenorfin Diprenorphinum [INN-Latin] M50-50 Injection 17-(Cyclopropylmethyl)-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-?,?-dimethyl-6,14-ethenomorphinan-7-methanol AC1L9ELZ D07863 GTPL1617 UNII-1F0L5N25ZZ (5?,7?)-17-(Cyclopropylmethyl)-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-?,?-dimethyl-6,14-ethenomorphinan-7-methanol 2-[3-cyclopropylmethyl-11-hydroxy-15-methoxy-(1S,2R,6S,14R,15R,16R)-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7,9,11-trien-16-yl]-2-propanol(diprenorphine) BDBM50001714 DB01548 DIPRENORPHINE-HCl M. 5050 [ Show all ]
Inchi Key	OIJXLIIMXHRJJH-KNLIIKEYSA-N
Inchi ID	InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18-,19-,22-,24-,25+,26-/m1/s1
PubChem CID	443408
ChEMBL	CHEMBL281786
IUPHAR	1617
BindingDB	50001714
DrugBank	DB01548
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	1.8 nM	PMID1335078	BindingDB,ChEMBL
Ki	0.4 nM	PMID9686407	BindingDB

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