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GLASS

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GPCR

Name	Mu-type opioid receptor
Species	Homo sapiens (Human)
Gene	OPRM1
Synonym	hMOP M-OR-1 MOP opioid receptor, mu 1 opioid receptor MOPr MOR-1 Mu opiate receptor Mu opioid receptor mu receptor OP3 [ Show all ]
Disease	Diarrhea Inflammatory disease Pain Major depressive disorder Migraine Mild pain Moderate-to-severe acute pain Opioid-induced constipation Opiate dependence Urinary incontinence Movement disorder Obesity Non-small cell lung cancer Systemic pain Headache Analgesia Anesthesia Asthma Cancer pain Chronic pain Constipation Diabetic neuropathy Unspecified Gastrointestinal disease Gastrointestinal disease; Pain General anesthesia Narcotic depression [ Show all ]
Length	400
Amino acid sequence	MDSSAAPTNASNCTDALAYSSCSPAPSPGSWVNLSHLDGNLSDPCGPNRTDLGGRDSLCPPTGSPSMITAITIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKIINVCNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPVLIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALVTIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSNIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETAPLP
UniProt	P35372
Protein Data Bank	N/A
GPCR-HGmod model	P35372
3D structure model	This predicted structure model is from GPCR-EXP P35372.
BioLiP	N/A
Therapeutic Target Database	T47768
ChEMBL	CHEMBL233
IUPHAR	319
DrugBank	BE0000770

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-EP2308509A1 LS-74487 AC1L1HEG Polamidon (Salt/Mix) Methadon Amidone S-(+)-Methadone Methadone [INN:BAN] BRN 3213669 UC6VBE7V1Z 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 Levometadona 6S-Methadone Metadona [INN-Spanish] Adanon hydrochloride (Salt/Mix) Polamivet AN-148 (Hydrochloride) Sedo-Rapide Methadonum [INN-Latin] CHEBI:6807 Westadone 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 6481-EP2280008A2 Levomethadone [INN] LS-74485 A 4624 Physeptone Metadone [DCIT] Althose rac-Methadone 1.0 mg/ml in Methanol Methadone HCL Intensol BRN 3213667 Symoron (TN) 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 l-Polamivet 6481-EP2298776A1 6481-EP2308872A1 Mecodin (Salt/Mix) AC1Q2RLW Polamidone Methadona Amidone (TN) SC-54552 Methadone-HCL,(-) C07163 UNII-UC6VBE7V1Z NINDS_000963 D09OJQ (+)-Methadone dl-Methadone (.+/-.)-Methadone DTXSID7023273 2-Dimethylamino-4,4-diphenyl-5-heptanone Heptanon KBio1_000963 6481-EP2275420A1 Levometadona [INN-Spanish] Levomethadonum 76-99-3 Metadona [Spanish] AKOS015962259 rac-Methadone Methadone (BAN) BDBM82507 STL455106 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 L-6-(Dimethylamino)-4,4-diphenyl-3-heptanone 6481-EP2298764A1 LS-74486 AC-16055 Physeptone (TN) Metasedin Amidon Racemic methadone Methadone M BRN 3213668 Tussol 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 L000874 6481-EP2305654A1 6481-EP2316829A1 Metadona Adanon Polamidone (Salt/Mix) Methadona [Spanish] AN 148 SCHEMBL34140 Methadonum CAS_5967-73-7 USSIQXCVUWKGNF-UHFFFAOYSA-N NSC_22266 (+-)-Methadone Dollies (6R)-Methadone EINECS 200-996-9 297-88-1 Heptanon (Hydrochloride) 6-(Dimethylamino)-4,4-diphenyl-3-heptanone Ketalgin 6481-EP2277875A2 Levomethadon Levomethadonum [INN-Latin] Phenadone (Hydrochloride) Metadone Algovetin rac-Methadone 0.1 mg/ml in Methanol Methadone HCL Biscuits Symoron 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 l-Methadone 6481-EP2298765A1 [ 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
	N/A	N/A	DrugBank
IC50	4.1 nM	PMID11585443	IUPHAR
IC50	4.1 nM	PMID11585443	BindingDB,ChEMBL
Ki	0.6 nM	PMID9686407	BindingDB
Ki	0.72 nM	PMID8114680	PDSP,BindingDB
Ki	1.45 nM	PMID7932177	BindingDB
Ki	5.6 nM	PMID7815359	PDSP,BindingDB

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