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	CHEMBL2431117
Molecular formula	C24H30N4O3
IUPAC name	6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-propan-2-ylquinazoline
Molecular weight	422.529
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	4.7
Synonyms	MLS004254799 SCHEMBL15818556 BDBM50440774 MLS-0469653.0001 1-{4-[6,7-dimethoxy-2-(methylethyl)quinazolin-4-yl]piperazinyl}-2-methoxybenzene SMR003080912 [ Show all ]
Inchi Key	QPUARXBBBJKJPI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H30N4O3/c1-16(2)23-25-18-15-22(31-5)21(30-4)14-17(18)24(26-23)28-12-10-27(11-13-28)19-8-6-7-9-20(19)29-3/h6-9,14-16H,10-13H2,1-5H3
PubChem CID	54758539
ChEMBL	CHEMBL2431117
IUPHAR	N/A
BindingDB	50440774
DrugBank	N/A
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
284032	G-protein coupled receptor 35	Q9HC97	GPR35	Homo sapiens (Human)	309
284030	Neurotensin receptor type 1	P30989	NTSR1	Homo sapiens (Human)	418
284031	Neurotensin receptor type 2	O95665	NTSR2	Homo sapiens (Human)	410

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