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:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

GPCR

Name	D(2) dopamine receptor
Species	Bos taurus (Bovine)
Gene	DRD2
Synonym	Dopamine D2 receptor
Disease	N/A for non-human GPCRs
Length	444
Amino acid sequence	MDPLNLSWYDDDPESRNWSRPFNGSEGKADRPPYNYYAMLLTLLIFVIVFGNVLVCMAVSREKALQTTTNYLIVSLAVADLLVATLVMPWVVYLEVVGEWKFSRIHCDIFVTLDVMMCTASILNLCAISIDRYTAVAMPMLYNTRYSSKRRVTVMIAIVWVLSFTISCPMLFGLNNTDQNECIIANPAFVVYSSIVSFYVPFIVTLLVYIKIYIVLRRRRKRVNTKRSSRAFRANLKAPLKGNCTHPEDMKLCTVIMKSNGSFPVNRRRVEAARRAQELEMEMLSSTSPPERTRYSPIPPSHHQLTLPDPSHHGLHSTPDSPAKPEKNGHAKTVNPKIAKIFEIQSMPNGKTRTSLKTMSRRKLSQQKEKKATQMLAIVLGVFIICWLPFFITHILNIHCDCNIPPVLYSAFTWLGYVNSAVNPIIYTTFNIEFRKAFLKILHC
UniProt	P20288
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	CHEMBL3998
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	Moperone
Molecular formula	C22H26FNO2
IUPAC name	1-(4-fluorophenyl)-4-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]butan-1-one
Molecular weight	355.453
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.0
Synonyms	Methylperidol Moperonum [INN-Latin] R 1658 1-Butanone, 1-(4-fluorophenyl)-4-[4-hydroxy-4-(4-methylphenyl)-1-piperidinyl]- AKOS030254497 D02623 NSC_4249 ZINC538026 1-(3'-p-Fluorobenzoylpropyl)-4-hydroxy-4-p-tolylpiperidine 4'-Fluoro-4-(4-hydroxy-4-p-tolylpiperidino)butyrophenone Butyrophenone, 4'-fluoro-4-(4-hydroxy-4-p-tolylpiperidino)- gamma-(4-hydroxy-4-p-methylphenylpiperidino)-p-fluorobutyrophenone Luvatrena Moperone [INN] p-Fluoro-4-(4'-hydroxy-4'-p-methylphenylpiperidino)butyrophenone 1-(4-fluorophenyl)-4-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]butan-1-one AC1L1HQP CHEMBL2104700 Moperona Mopiperone SCHEMBL34340 1050-79-9 API0003426 EINECS 213-887-6 L000665 Moperone (INN) omega-(4-Hydroxy-4-p-tolylpiperidino)-p-fluorobutyrophenone 1-(4-Fluorophenyl)-4-[4-hydroxy-4-(4-methylphenyl)-1-piperidinyl]-1-butanone 4'-Fluoro-4-(4-hydroxy-4-p-tolylpiperidino)butyrophenone;4'-Fluoro-4-(4-hydroxy-4-p-tolylpiperidino)butyrophenone CAS_1050-79-9 Meperon Moperonum p-Fluoro-4-(4'-hydroxy-4'-p-tolylpiperidino)butyrophenone 1-Butanone, 1-(4-fluorophenyl)-4-(4-hydroxy-4-(4-methylphenyl)-1-piperidinyl)- AGAHNABIDCTLHW-UHFFFAOYSA-N CTK8G1178 Moperona [INN-Spanish] NCGC00188430-01 UNII-OU730881W5 3871-82-7 (hydrochloride) BDBM81486 FT-0672517 Luvatren Moperone HCl OU730881W5 1-(4-Fluorophenyl)-4-[4-hydroxy-4-(4-methylphenyl)-1-piperidinyl]-1-butanone # CHEBI:135500 [ Show all ]
Inchi Key	AGAHNABIDCTLHW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H26FNO2/c1-17-4-8-19(9-5-17)22(26)12-15-24(16-13-22)14-2-3-21(25)18-6-10-20(23)11-7-18/h4-11,26H,2-3,12-16H2,1H3
PubChem CID	4249
ChEMBL	N/A
IUPHAR	N/A
BindingDB	81486
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	1.9 nM	PMID995128, PMID9081563	BindingDB

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