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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	pentazocine
Molecular formula	C19H27NO
IUPAC name	(1R,9R,13R)-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Molecular weight	285.431
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	3.3
Synonyms	Sosegon (1R,9R,13R)-1,13-dimethyl-10-(3-methylbut-2-en-1-yl)-10-azatricyclo[7.3.1.0;{2,7}]trideca-2,4,6-trien-4-ol Talwin PX (TN) 2'-Hydroxy-5,9-dimethyl-2-(3,3-dimethylallyl)-6,7-benzomorphan 6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol C07421 Fortral (TN) Lexir Pentazocine, (-)- Talacen (TN) (2R,6R,11R)-6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol WIN 20228 2-(3,3-Dimethylallyl)cyclazocine 768DQ5A5AI DTXSID7023433 GTPL1606 Pentagin Pentazocine (JP15/USP/INN) Pentazocine,(+/-) (-)-alpha-Pentazocine Talwin (TN) 1,2,3,4,5,6-Hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocin-8-ol 359-83-1 BDBM50001028 D00498 Fortalin L-pentazocine Pentazocina Pentazocine 2R,6R,11R-form [MI] rel-(2R,6R,11R)-6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol Soseton (2alpha,6alpha,11R)-(1)-1,2,3,4,5,6-Hexahydro-6,11-dimethyl-3-(3-methylbut-2-enyl)-2,6-methano-3-benzazocin-8-ol UNII-768DQ5A5AI 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-buten-1-yl)-, (2R,6R,11R)- 6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol(Pentazocine) CC-33571 DB00652 Fortwin (TN) Liticon PENTAZOCINE (+) Pentazocine, L- Talwan (2R,6R,11R)-6,11-dimethyl-3-(3-methylbut-2-en-1-yl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol WIN-20228 2-Dimethylallyl-5,9-dimethyl-2'-hydroxybenzomorphan Algopent (free base) CHEMBL560 Fortal (TN) II-C-2 Pentazocaine Pentazocine (JP17/USP/INN) Pentazocinum SCHEMBL2492 (-)-PENTAZOCINE Talwin NX (TN) C-17980 D0W6DG Fortral Levopentazocine Pentazocina [DCIT] Pentazocine [USAN:INN:BAN:JAN] Sosigon (2R,6R,11R)-1,2,3,4,5,6-Hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocin-8-ol UNII-RP4A60D26L component VOKSWYLNZZRQPF-GDIGMMSISA-N 2-(3,3-Dimethylallyl)-2',2'-hydroxy-5,9-dimethyl-6,7-benzomorphan 7488-49-5 CHEBI:7982 dl-Pentazocine FT-0673607 NIH 7958 PENTAZOCINE (-) Pentazocine, Pentazocin, Sosegon, WIN 20228 Talwin (6R,11S)-6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol ZINC596 3-(3-Methyl-2-butenyl)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol API0003785 cis-(-)-Pentazocine Fortalgesic KF-1820 Pentazocin Pentazocine 2R,6R,11R-form Pentazocinum [INN-Latin] [ Show all ]
Inchi Key	VOKSWYLNZZRQPF-GDIGMMSISA-N
Inchi ID	InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m0/s1
PubChem CID	441278
ChEMBL	CHEMBL560
IUPHAR	1606
BindingDB	50001028
DrugBank	DB00652
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
Ki	2.2 nM	PMID9686407	BindingDB
Ki	2.51189 - 15.8489 nM	PMID9686407, PMID9262330	IUPHAR

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