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

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	Aripiprazole lauroxil
Molecular formula	C36H51Cl2N3O4
IUPAC name	[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinolin-1-yl]methyl dodecanoate
Molecular weight	660.721
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	10.0
Synonyms	Aripiprazol- Lauroxil BCP14993 RDC 3317 (7-(4-(4-(2,3-Dichlorophenyl)piperazin-1-yl)butoxy)-2-oxo-3,4-dihydroquinolin-1(2H)-yl)methyl dodecanoate Aripiprazole lauroxil [USAN] D10364 UNII-B786J7A343 ALKS 9070 AS-35241 Dodecanoic acid, (7-(4-(4-(2,3-dichlorophenyl)-1-piperazinyl)butoxy)-3,4-dihydro-2-oxo-1(2H)-quinolinyl)methyl ester [7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}-2-oxo-3,4-dihydroquinolin-1(2H)-yl]methyl dodecanoate CHEBI:90930 RDC-3317 1259305-29-7 Aristada ZINC95564895 ALKS 9072 B786J7A343 DTXSID60154997 Aripiprazole lauroxil (USAN) CHEMBL2219425 SCHEMBL1044330 AKOS030627657 Aristada (TN) Dodecanoic acid [7-[4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butoxy]-3,4-dihydro-2-oxo-1(2H)-quinolinyl]methyl ester [7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinolin-1-yl]methyl dodecanoate [ Show all ]
Inchi Key	DDINXHAORAAYAD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C36H51Cl2N3O4/c1-2-3-4-5-6-7-8-9-10-16-35(43)45-28-41-33-27-30(19-17-29(33)18-20-34(41)42)44-26-12-11-21-39-22-24-40(25-23-39)32-15-13-14-31(37)36(32)38/h13-15,17,19,27H,2-12,16,18,20-26,28H2,1H3
PubChem CID	49831411
ChEMBL	N/A
IUPHAR	N/A
BindingDB	N/A
DrugBank	DB14185
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

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
548540	5-hydroxytryptamine receptor 1A	P08908	HTR1A	Homo sapiens (Human)	422
548555	5-hydroxytryptamine receptor 1B	P28222	HTR1B	Homo sapiens (Human)	390
548537	5-hydroxytryptamine receptor 1D	P28221	HTR1D	Homo sapiens (Human)	377
548538	5-hydroxytryptamine receptor 1E	P28566	HTR1E	Homo sapiens (Human)	365
548559	5-hydroxytryptamine receptor 2A	P28223	HTR2A	Homo sapiens (Human)	471
548552	5-hydroxytryptamine receptor 2C	P28335	HTR2C	Homo sapiens (Human)	458
548539	5-hydroxytryptamine receptor 6	P50406	HTR6	Homo sapiens (Human)	440
548554	5-hydroxytryptamine receptor 7	P34969	HTR7	Homo sapiens (Human)	479
548542	Alpha-1A adrenergic receptor	P35348	ADRA1A	Homo sapiens (Human)	466
548551	Alpha-1B adrenergic receptor	P35368	ADRA1B	Homo sapiens (Human)	520
548549	Alpha-2A adrenergic receptor	P08913	ADRA2A	Homo sapiens (Human)	450
548545	Alpha-2B adrenergic receptor	P18089	ADRA2B	Homo sapiens (Human)	450
548546	Alpha-2C adrenergic receptor	P18825	ADRA2C	Homo sapiens (Human)	462
548543	D(1A) dopamine receptor	P21728	DRD1	Homo sapiens (Human)	446
548541	D(1B) dopamine receptor	P21918	DRD5	Homo sapiens (Human)	477
548558	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443
548548	D(3) dopamine receptor	P35462	DRD3	Homo sapiens (Human)	400
548557	D(4) dopamine receptor	P21917	DRD4	Homo sapiens (Human)	467
548556	Histamine H1 receptor	P35367	HRH1	Homo sapiens (Human)	487
548547	Muscarinic acetylcholine receptor M1	P11229	CHRM1	Homo sapiens (Human)	460