Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

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	Polamidone SC-54552 UNII-UC6VBE7V1Z 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 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 rac-Methadone STL455106 (-)-(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 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- Physeptone (TN) Racemic methadone Tussol (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] 6S-Methadone Metadona [INN-Spanish] Adanon hydrochloride (Salt/Mix) AN-148 (Hydrochloride) Methadonum [INN-Latin] CHEBI:6807 Phenadone DB00333 (+/-)-Methadone Dolly Polamidone (Salt/Mix) SCHEMBL34140 USSIQXCVUWKGNF-UHFFFAOYSA-N 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 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 Phenadone (Hydrochloride) rac-Methadone 0.1 mg/ml in Methanol Symoron (.+/-.)-Methadone DTXSID7023273 2-Dimethylamino-4,4-diphenyl-5-heptanone Heptanon KBio1_000963 6481-EP2275420A1 Levometadona [INN-Spanish] 6481-EP2308872A1 Mecodin (Salt/Mix) AC1Q2RLW Methadona Amidone (TN) Methadone-HCL,(-) C07163 NINDS_000963 D09OJQ (+)-Methadone dl-Methadone Polamidon (Salt/Mix) S-(+)-Methadone UC6VBE7V1Z 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 Levomethadonum 76-99-3 Metadona [Spanish] AKOS015962259 Methadone (BAN) BDBM82507 Methadonum [Latin] DEA No. 9250 (+/-)-Methadone hydrochloride Polamivet Sedo-Rapide Westadone Dolophine (TN) Heptadone 3-Hetpanone, 6-(dimethylamino)-4,4-diphenyl-, (R)- IDI1_000963 6-Dimethylamino-4,4-diphenyl-3-heptanone L000874 6481-EP2305654A1 LS-74486 AC-16055 Metasedin Amidon Methadone M BRN 3213668 NCGC00248116-01 d-Methadone DivK1c_000963 (+/-)-Tussal Physeptone rac-Methadone 1.0 mg/ml in Methanol Symoron (TN) (6R)-Methadone EINECS 200-996-9 297-88-1 Heptanon (Hydrochloride) 6-(Dimethylamino)-4,4-diphenyl-3-heptanone Ketalgin 6481-EP2277875A2 Levomethadon 6481-EP2316829A1 Metadona Adanon Methadona [Spanish] AN 148 Methadonum CAS_5967-73-7 NSC_22266 (+-)-Methadone Dollies [ 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.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
344630	D(1A) dopamine receptor	Q95136	DRD1	Bos taurus (Bovine)	446
556891	D(2) dopamine receptor	P20288	DRD2	Bos taurus (Bovine)	444
344623	Delta-type opioid receptor	P41143	OPRD1	Homo sapiens (Human)	372
344626	Delta-type opioid receptor	P33533	Oprd1	Rattus norvegicus (Rat)	372
462193	Delta-type opioid receptor	P79291	OPRD1	Sus scrofa (Pig)	228
344625	Kappa-type opioid receptor	P41145	OPRK1	Homo sapiens (Human)	380
344628	Kappa-type opioid receptor	P41144	OPRK1	Cavia porcellus (Guinea pig)	380
344629	Kappa-type opioid receptor	P34975	Oprk1	Rattus norvegicus (Rat)	380
531235	Mas-related G-protein coupled receptor member X2	Q96LB1	MRGPRX2	Homo sapiens (Human)	330
344622	Mu-type opioid receptor	P35372	OPRM1	Homo sapiens (Human)	400
344624	Mu-type opioid receptor	P33535	Oprm1	Rattus norvegicus (Rat)	398
344627	Mu-type opioid receptor	P97266	OPRM1	Cavia porcellus (Guinea pig)	98

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417