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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	Naltrindole
Molecular formula	C26H26N2O3
IUPAC name	(1S,2S,13R,21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-2,16-diol
Molecular weight	414.505
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	3.3
Synonyms	[3H]naltrindole (4bs,8r,8as,14br)-7-(Cyclopropylmethyl)-5,6,7,8,14,14b-Hexahydro-4,8-Methano[1]benzofuro[2,3-A]pyrido[4,3-B]carbazole-1,8a(9h)-Diol 4,8-Methanobenzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol, 7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-, (4bS,8R,8aS,14bR)- (9CI) CHEMBL567175 SCHEMBL12013202 17-Cyclopropylmethyl-6,7-dehydro-4,5-epoxy-3,14-dihydroxy-6,7,2',3'-indolomorphinan BDBM50370067 EJ4 ZINC3802871 4,8-Methanobenzofuro(2,3-a)pyrido(4,3-b)carbazole-1,8a(9H)-diol, 7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-, (8R-(4bS,8alpha,8abeta,14bbeta))- CHEMBL1237164 GTPL3829 111555-53-4 4,8-Methanobenzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol, 7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-, [8R-(4bS,8alpha,8abeta,14bbeta)]- D08IXN NIH 10589 UNII-G167Z38QA4 C18128 G167Z38QA4 [3H]-naltrindole 4,8-methanobenzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol, 7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-, (4bS,8R,8aS,14bR)- HMS2089E12 NTI D0M2EX WIYUZYBFCWCCQJ-IFKAHUTRSA-N 4,8-Methanobenzofuro(2,3-a)pyrido(4,3-b)carbazole-1,8a(9H)-diol, 7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-, (4bS,8R,8aS,14bR)- CHEBI:81528 GTPL1641 [ Show all ]
Inchi Key	WIYUZYBFCWCCQJ-IFKAHUTRSA-N
Inchi ID	InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1
PubChem CID	5497186
ChEMBL	CHEMBL567175
IUPHAR	3829, 1641
BindingDB	50370067
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	100.0 nM	PMID1335078	ChEMBL
IC50	2000.0 nM	PMID8021929	ChEMBL
IC50 ratio	1.3 -	PMID7853332, PMID8380614	ChEMBL
IC50 ratio	5.4 -	PMID9651172, PMID2160538	ChEMBL
Ke	45.0 nM	PMID2160538, PMID8126697, PMID1648136, PMID9836606	ChEMBL
Ke	46.0 -	PMID1851846	ChEMBL
Ke	46.0 nM	PMID9685249, PMID9207938	ChEMBL
Ke	58.0 nM	PMID2828619	ChEMBL
Ki	4.7 nM	PMID11311071	BindingDB
Ki	6.0 nM	PMID12565965	ChEMBL
Ki	7.44 nM	PMID18637671	ChEMBL
Ki	8.8 nM	PMID14998329	ChEMBL
Ki	8.85 nM	PMID10229636, PMID10617086	ChEMBL
Ki	8.9 nM	PMID12431065	ChEMBL
Ki	9.04 nM	PMID22967810	ChEMBL
Ki	10.2 nM	PMID12930147	ChEMBL
Ki	14.0 nM	PMID22197670, PMID8126697	ChEMBL
Ki	14.01 nM	PMID19362480	ChEMBL
Ki	14.3 nM	PMID11294396	ChEMBL
Ki	14.9 nM	PMID17402725	ChEMBL
Ki	15.8 nM	PMID12431065	ChEMBL
Ki	19.9 nM	PMID9667975	ChEMBL
Ki	26.92 nM	PMID15743203	ChEMBL
Ki	27.0 nM	PMID15743203	BindingDB
Ki	30.0 nM	PMID11311071	BindingDB
Ki	30.4 nM	PMID10617086, PMID9871544, PMID18637671, PMID10229636	ChEMBL
Ki	34.1 nM	PMID9667975	ChEMBL
Ki	35.8 nM	PMID12565965, PMID10479286	ChEMBL
Ki	75.0 nM	PMID14998329	ChEMBL
Ki	332.0 nM	PMID7853332, PMID2160538, PMID8021929, PMID1333013, PMID1648136	ChEMBL
Ki	3327.0 -	PMID1851846	ChEMBL
Ratio	1.3 -	PMID8021928	ChEMBL
Ratio	345.0 -	PMID1851846	ChEMBL
Ratio	10732.0 -	PMID1851846	ChEMBL