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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	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	36OOQ86QM1 BDBM82551 GTPL1642 Nor-Binaltorphamine ta,10aalpha,11beta,14aS,19aalpha,20bbeta)]- (-)-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 NOR-BNI (HCI)2 CHEMBL573214 NCGC00024547-04 PDSP2_001420 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 nor-Binaltorphimine UNII-36OOQ86QM1 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 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 NCGC00024547-06 SCHEMBL12013206 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, Nor-bni ZINC3995590 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 NorBNI [ 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
IC50	6.0 nM	PMID1335078	BindingDB,ChEMBL
IC50	181.0 nM	PMID8360887	BindingDB,ChEMBL
IC50 ratio	49.8 -	PMID11405645, PMID10893314	ChEMBL
IC50 ratio	181.0 -	PMID8380614	ChEMBL
Ke	0.038 nM	PMID12723940, PMID12825951	ChEMBL
Ke	0.07 nM	PMID12723940	ChEMBL
Ke	0.21 nM	PMID1849995	ChEMBL
Ke	0.213 nM	PMID11543672	ChEMBL
Ke	0.368 nM	PMID11543672	ChEMBL
Ke	0.4 nM	PMID10893314	ChEMBL
Ke	0.41 nM	PMID11405645, PMID2832604, PMID2838632	ChEMBL
Ke	0.55 nM	PMID1849995	ChEMBL
Ke	0.56 nM	PMID9836606	ChEMBL
Ki	0.038 nM	PMID11495579, PMID9857089	ChEMBL
Ki	0.038 nM	PMID11495579, PMID9857089	BindingDB
Ki	0.12 nM	PMID12565965	ChEMBL
Ki	0.12 nM	PMID12565965	BindingDB
Ki	0.26 nM	PMID1849995	BindingDB
Ki	0.26 nM	PMID1849995	ChEMBL
Ki	0.28 nM	PMID8182708, PMID8380614, PMID9857089	ChEMBL
Ki	0.28 nM	PMID8182708, PMID8380614, PMID9857089	BindingDB
Ki	0.3 nM	PMID9686407	BindingDB
Ki	0.81 nM	PMID11543672	ChEMBL
Ki	0.81 nM	PMID11543672	BindingDB
Ki	0.861 nM	PMID21256034, PMID20685120	BindingDB,ChEMBL
Ki	1.09 nM	PMID14761209, PMID12825951, PMID12139463	BindingDB,ChEMBL
Ki	1.1 nM	PMID12825951	BindingDB
Ki	1.33 nM	PMID14761209	ChEMBL
Ki	109.0 nM	PMID11495579	BindingDB,ChEMBL