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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	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	6481-EP2280008A2 Levomethadone [INN] 6S-Methadone Metadona [INN-Spanish] Adanon hydrochloride (Salt/Mix) AN-148 (Hydrochloride) Methadonum [INN-Latin] CHEBI:6807 Phenadone DB00333 (+/-)-Methadone Dolly (plusmn)-methadone Eptadone 3-14-00-00279 (Beilstein Handbook Reference) Heptanon (pharmaceutical) 6-(Dimethylamino)-4,4-diphenyl-3-heptanone dl-mixture L-(+)-Methadone Polamidone (Salt/Mix) SCHEMBL34140 USSIQXCVUWKGNF-UHFFFAOYSA-N l-Polamivet 6481-EP2298776A1 LS-74485 A 4624 Metadone [DCIT] Althose 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) 3-HEPTANONE, 6-(DIMETHYLAMINO)-4,4-DIPHENYL-, (S)- HSDB 3119 6-dimethylamino-4,4-di(phenyl)heptan-3-one Phenadone (Hydrochloride) rac-Methadone 0.1 mg/ml in Methanol Symoron 6481-EP2275420A1 Levometadona [INN-Spanish] 6481-EP2308872A1 Mecodin (Salt/Mix) AC1Q2RLW Methadona Amidone (TN) Methadone-HCL,(-) C07163 NINDS_000963 D09OJQ (+)-Methadone dl-Methadone (.+/-.)-Methadone DTXSID7023273 2-Dimethylamino-4,4-diphenyl-5-heptanone Heptanon KBio1_000963 Polamidon (Salt/Mix) S-(+)-Methadone UC6VBE7V1Z L-6-(Dimethylamino)-4,4-diphenyl-3-heptanone 6481-EP2298764A1 Levomethadonum 76-99-3 Metadona [Spanish] AKOS015962259 Methadone (BAN) BDBM82507 Methadonum [Latin] DEA No. 9250 (+/-)-Methadone hydrochloride Dolophin (R)-6-(Dimethylamino)-4,4-diphenyl-3-heptanone Fenadone (Hydrochloride) 3-Heptanone, 6-(dimethylamino)-4,4-diphenyl- Hoechst 10820 6-(dimethylamino)-4,4-diphenyl-heptan-3-one Polamivet Sedo-Rapide Westadone L000874 6481-EP2305654A1 LS-74486 AC-16055 Metasedin Amidon Methadone M BRN 3213668 NCGC00248116-01 d-Methadone DivK1c_000963 (+/-)-Tussal Dolophine (TN) Heptadone 3-Hetpanone, 6-(dimethylamino)-4,4-diphenyl-, (R)- IDI1_000963 6-Dimethylamino-4,4-diphenyl-3-heptanone Physeptone rac-Methadone 1.0 mg/ml in Methanol Symoron (TN) 6481-EP2277875A2 Levomethadon 6481-EP2316829A1 Metadona Adanon Methadona [Spanish] AN 148 Methadonum CAS_5967-73-7 NSC_22266 (+-)-Methadone Dollies (6R)-Methadone EINECS 200-996-9 297-88-1 Heptanon (Hydrochloride) 6-(Dimethylamino)-4,4-diphenyl-3-heptanone Ketalgin Polamidone SC-54552 UNII-UC6VBE7V1Z l-Methadone 6481-EP2298765A1 Levomethadonum [INN-Latin] Metadone Algovetin 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 3-Heptanone, 6-(dimethylamino)-4,4-diphenyl-, (.+/-.)- Hoescht 10820 (Hydrochloride) 6-(dimethylamino)-4,4-diphenylheptan-3-one rac-Methadone STL455106 Levometadona 6481-EP2308509A1 LS-74487 AC1L1HEG Methadon 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) 3-Hetpanone, 6-(dimethylamino)-4,4-diphenyl-, (R)-(9CI) K 174 6481-EP1441224A2 Physeptone (TN) Racemic methadone Tussol [ 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
Ki	728.0 nM	PMID9686407	BindingDB

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