Zhang Lab

University of Michigan

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 ●DMFold ●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(4) dopamine receptor
Species	Homo sapiens (Human)
Gene	DRD4
Synonym	D4 receptor D4R Dopamine D4 receptor dopamine receptor 4 d(2C) dopamine receptor
Disease	Erectile dysfunction Psychotic disorders Schizophrenia
Length	467
Amino acid sequence	MGNRSTADADGLLAGRGPAAGASAGASAGLAGQGAAALVGGVLLIGAVLAGNSLVCVSVATERALQTPTNSFIVSLAAADLLLALLVLPLFVYSEVQGGAWLLSPRLCDALMAMDVMLCTASIFNLCAISVDRFVAVAVPLRYNRQGGSRRQLLLIGATWLLSAAVAAPVLCGLNDVRGRDPAVCRLEDRDYVVYSSVCSFFLPCPLMLLLYWATFRGLQRWEVARRAKLHGRAPRRPSGPGPPSPTPPAPRLPQDPCGPDCAPPAPGLPRGPCGPDCAPAAPGLPPDPCGPDCAPPAPGLPQDPCGPDCAPPAPGLPRGPCGPDCAPPAPGLPQDPCGPDCAPPAPGLPPDPCGSNCAPPDAVRAAALPPQTPPQTRRRRRAKITGRERKAMRVLPVVVGAFLLCWTPFFVVHITQALCPACSVPPRLVSAVTWLGYVNSALNPVIYTVFNAEFRNVFRKALRACC
UniProt	P21917
Protein Data Bank	5wiv, 5wiu
GPCR-HGmod model	P21917
3D structure model	This structure is from PDB ID 5wiv.
BioLiP	BL0394824, BL0394826, BL0394825
Therapeutic Target Database	T24983
ChEMBL	CHEMBL219
IUPHAR	217
DrugBank	BE0009376, BE0000389

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	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 L000665 Moperone (INN) omega-(4-Hydroxy-4-p-tolylpiperidino)-p-fluorobutyrophenone 1-Butanone, 1-(4-fluorophenyl)-4-(4-hydroxy-4-(4-methylphenyl)-1-piperidinyl)- AGAHNABIDCTLHW-UHFFFAOYSA-N CTK8G1178 Meperon Moperonum p-Fluoro-4-(4'-hydroxy-4'-p-tolylpiperidino)butyrophenone 3871-82-7 (hydrochloride) BDBM81486 FT-0672517 Moperona [INN-Spanish] NCGC00188430-01 UNII-OU730881W5 1-(4-Fluorophenyl)-4-[4-hydroxy-4-(4-methylphenyl)-1-piperidinyl]-1-butanone # CHEBI:135500 Luvatren Moperone HCl OU730881W5 1-Butanone, 1-(4-fluorophenyl)-4-[4-hydroxy-4-(4-methylphenyl)-1-piperidinyl]- AKOS030254497 D02623 Methylperidol Moperonum [INN-Latin] R 1658 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 NSC_4249 ZINC538026 1-(4-fluorophenyl)-4-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]butan-1-one AC1L1HQP CHEMBL2104700 Luvatrena Moperone [INN] p-Fluoro-4-(4'-hydroxy-4'-p-methylphenylpiperidino)butyrophenone 1050-79-9 API0003426 EINECS 213-887-6 Moperona Mopiperone SCHEMBL34340 [ 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	2.0 nM	PMID9577836	PDSP,BindingDB
Ki	27.0 nM	PMID16135699	PDSP,BindingDB

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218