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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	methadone
Molecular formula	C21H27NO
IUPAC name	6-(dimethylamino)-4,4-diphenylheptan-3-one
Molecular weight	309.453
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	3.9
Synonyms	Amidone Methadone [INN:BAN] BRN 3213669 NCGC00248116-02 D08195 DL-6-DIMETHYLAMINO-4,4-DIPHENYL-3-HEPTANONE-1,1,1- (-)-(R)-6-(Dimethylamino)-4,4-diphenyl-3-heptanone Dolophine HCL 1095-90-5 (hydrochloride) Heptadone (Hydrochloride) Polamivet 3-Hetpanone, 6-(dimethylamino)-4,4-diphenyl-, (R)-(9CI) K 174 Sedo-Rapide 6481-EP1441224A2 Levometadona Westadone 6481-EP2308509A1 LS-74487 AC1L1HEG Methadon AN-148 (Hydrochloride) Methadonum [INN-Latin] CHEBI:6807 Phenadone DB00333 (+/-)-Methadone Dolly (plusmn)-methadone Eptadone Physeptone 3-14-00-00279 (Beilstein Handbook Reference) Heptanon (pharmaceutical) rac-Methadone 1.0 mg/ml in Methanol 6-(Dimethylamino)-4,4-diphenyl-3-heptanone dl-mixture L-(+)-Methadone Symoron (TN) 6481-EP2280008A2 Levomethadone [INN] 6S-Methadone Metadona [INN-Spanish] Adanon hydrochloride (Salt/Mix) Methadone HCL Intensol BRN 3213667 Methaquaione d-6-(Dimethylamino)-4,4-diphenyl-3-heptanone Diaminon (+/-)-Methadone solution, 100 mug/mL in methanol, ampule of 1 mL, certified reference material Dolophine (Hydrochloride) (S)-6-(Dimethylamino)-4,4-diphenyl-3-heptanone Heptadon (TN) Polamidone 3-HEPTANONE, 6-(DIMETHYLAMINO)-4,4-DIPHENYL-, (S)- HSDB 3119 SC-54552 6-dimethylamino-4,4-di(phenyl)heptan-3-one l-Polamivet UNII-UC6VBE7V1Z 6481-EP2298776A1 LS-74485 A 4624 Metadone [DCIT] Althose Amidone (TN) Methadone-HCL,(-) C07163 NINDS_000963 D09OJQ (+)-Methadone dl-Methadone (.+/-.)-Methadone DTXSID7023273 2-Dimethylamino-4,4-diphenyl-5-heptanone Heptanon rac-Methadone KBio1_000963 STL455106 6481-EP2275420A1 Levometadona [INN-Spanish] 6481-EP2308872A1 Mecodin (Salt/Mix) AC1Q2RLW Methadona Methadone (BAN) BDBM82507 Methadonum [Latin] DEA No. 9250 (+/-)-Methadone hydrochloride Dolophin (R)-6-(Dimethylamino)-4,4-diphenyl-3-heptanone Fenadone (Hydrochloride) Physeptone (TN) 3-Heptanone, 6-(dimethylamino)-4,4-diphenyl- Hoechst 10820 Racemic methadone 6-(dimethylamino)-4,4-diphenyl-heptan-3-one L-6-(Dimethylamino)-4,4-diphenyl-3-heptanone Tussol 6481-EP2298764A1 Levomethadonum 76-99-3 Metadona [Spanish] AKOS015962259 Methadone M BRN 3213668 NCGC00248116-01 d-Methadone DivK1c_000963 (+/-)-Tussal Dolophine (TN) Heptadone Polamidone (Salt/Mix) 3-Hetpanone, 6-(dimethylamino)-4,4-diphenyl-, (R)- IDI1_000963 SCHEMBL34140 6-Dimethylamino-4,4-diphenyl-3-heptanone L000874 USSIQXCVUWKGNF-UHFFFAOYSA-N 6481-EP2305654A1 LS-74486 AC-16055 Metasedin Amidon AN 148 Methadonum CAS_5967-73-7 NSC_22266 (+-)-Methadone Dollies (6R)-Methadone EINECS 200-996-9 Phenadone (Hydrochloride) 297-88-1 Heptanon (Hydrochloride) rac-Methadone 0.1 mg/ml in Methanol 6-(Dimethylamino)-4,4-diphenyl-3-heptanone Ketalgin Symoron 6481-EP2277875A2 Levomethadon 6481-EP2316829A1 Metadona Adanon Methadona [Spanish] Methadone HCL Biscuits Methadose (TN) CHEMBL651 Dextromethadone (+/-)-Methadone solution, 1 mg/mL in methanol, ampule of 1 mL, certified reference material Dolophine (R)-6-(Dimethylamino)-4,4-diphenyl-3-hetpanone GTPL5458 Polamidon (Salt/Mix) 3-Heptanone, 6-(dimethylamino)-4,4-diphenyl-, (.+/-.)- Hoescht 10820 (Hydrochloride) S-(+)-Methadone 6-(dimethylamino)-4,4-diphenylheptan-3-one l-Methadone UC6VBE7V1Z 6481-EP2298765A1 Levomethadonum [INN-Latin] Metadone Algovetin [ Show all ]
Inchi Key	USSIQXCVUWKGNF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3
PubChem CID	4095
ChEMBL	CHEMBL651
IUPHAR	5458
BindingDB	82507
DrugBank	DB00333
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	512.0 nM	PMID11585443	BindingDB,ChEMBL
Ki	15.8 nM	PMID7932177	BindingDB
Ki	323.5 nM	PMID9686407	BindingDB
Ki	1000.0 nM	PMID8114680	PDSP,BindingDB

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