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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	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	NCGC00024547-02 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 D05QJS NCGC00024547-06 SCHEMBL12013206 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 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 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 NCGC00024547-03 NorBNI 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 GTPL1642 Nor-Binaltorphamine ta,10aalpha,11beta,14aS,19aalpha,20bbeta)]- 36OOQ86QM1 BDBM82551 LS-62008 NOR-BNI (HCI)2 (-)-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 NCGC00024547-04 PDSP2_001420 CHEMBL573214 Lopac0_000806 nor-Binaltorphimine UNII-36OOQ86QM1 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 [ 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
Activity	50.0 %	PMID20568781	ChEMBL
EC50	0.039 Ke nM-1	PMID12672258	ChEMBL
EC50	0.039 nM	PMID12672258	BindingDB
EC50	6.0 nM	PMID20568781	BindingDB,ChEMBL
IC50	0.28 nM	PMID25593096	ChEMBL
IC50	0.28 nM	PMID25593096	BindingDB
IC50	2.1 nM	PMID20727752, PMID20719509	BindingDB,ChEMBL
IC50	2.5 nM	PMID25593096	BindingDB,ChEMBL
IC50	4.37 nM	PMID12747782	ChEMBL
IC50	4.4 nM	PMID12747782	BindingDB
IC50	4.6 nM	PMID25593096	BindingDB,ChEMBL
Inhibition	<86.0 %	PMID25593096	ChEMBL
Kb	0.798 nM	PMID21958337	ChEMBL
Ke	0.03 nM	PMID15456250	ChEMBL
Ke	0.039 nM	PMID24973818	ChEMBL
Ke	0.04 nM	PMID12519069, PMID12139463, PMID14640558, PMID23360448, PMID16366600, PMID12825951, PMID12723940	ChEMBL
Ke	0.05 nM	PMID26342544, PMID20568781, PMID19954245, PMID23651437, PMID16509593, PMID17685652	ChEMBL
Ke	0.11 nM	PMID21570305, PMID21684752, PMID17625813, PMID15743210, PMID19053757	ChEMBL
Ki	0.01 - 1.25893 nM	PMID9686407, PMID7869844, PMID7624359, PMID9262330, PMID2444704	IUPHAR
Ki	0.02 nM	PMID8114680	BindingDB
Ki	0.027 nM	PMID19027293	ChEMBL
Ki	0.027 nM	PMID19027293	BindingDB
Ki	0.039 nM	PMID11055333	ChEMBL
Ki	0.039 nM	PMID11055333	BindingDB
Ki	0.07 nM	PMID11495579	BindingDB
Ki	0.07 nM	PMID11495579	ChEMBL
Ki	0.1259 nM	PMID17490886	ChEMBL
Ki	0.13 nM	PMID10780914	BindingDB,ChEMBL
Ki	0.15 nM	PMID25513968	ChEMBL
Ki	0.15 nM	PMID25513968	BindingDB
Ki	0.153 nM	PMID21958337	BindingDB
Ki	0.153 nM	PMID21958337	ChEMBL
Ki	0.19 nM	PMID21621410	ChEMBL
Ki	0.19 nM	PMID21621410	BindingDB
Ki	0.2 nM	PMID12672258, PMID12825951, PMID12519069, PMID15456250, PMID11055333, PMID24973818, PMID14640558	BindingDB
Ki	0.2 nM	PMID12672258, PMID9686407, PMID12825951, PMID12519069, PMID15456250, PMID11055333, PMID24973818, PMID14640558	BindingDB,ChEMBL
Ki	0.23 nM	PMID21621410	ChEMBL
Ki	0.23 nM	PMID21621410	BindingDB
Ki	0.34 nM	PMID20441176	BindingDB
Ki	0.34 nM	PMID20441176	ChEMBL
Ki	0.36 nM	PMID10893307	BindingDB
Ki	0.36 nM	PMID10893307	ChEMBL
Ki	0.37 nM	PMID12747782	BindingDB
Ki	0.37 nM	PMID12747782	ChEMBL
Ki	0.4 nM	PMID15743210	ChEMBL
Ki	0.85 nM	PMID21744827	BindingDB
Ki	0.85 nM	PMID21744827	ChEMBL
Ki	0.9 nM	PMID20727752	ChEMBL
Ki	0.9 nM	PMID20727752	BindingDB
Ki	12.8 nM	PMID10780914	BindingDB,ChEMBL
Ki	12.9 nM	PMID10780914	BindingDB,ChEMBL
Max inhibition	100.0 %	PMID12747782	ChEMBL
Max stimulation	-13.0 %	PMID12747782	ChEMBL
Ratio	0.01 -	PMID12565965	ChEMBL
Ratio	181.0 -	PMID1849995	ChEMBL
Ratio	473.0 -	PMID1849995	ChEMBL

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