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	Rattus norvegicus (Rat)
Gene	Drd2
Synonym	D2 receptor D2(415) and D₂₍₄₄₄₎ D2A and D_2B D2R Dopamine D2 receptor dopamine receptor 2 [ Show all ]
Disease	N/A for non-human GPCRs
Length	444
Amino acid sequence	MDPLNLSWYDDDLERQNWSRPFNGSEGKADRPHYNYYAMLLTLLIFIIVFGNVLVCMAVSREKALQTTTNYLIVSLAVADLLVATLVMPWVVYLEVVGEWKFSRIHCDIFVTLDVMMCTASILNLCAISIDRYTAVAMPMLYNTRYSSKRRVTVMIAIVWVLSFTISCPLLFGLNNTDQNECIIANPAFVVYSSIVSFYVPFIVTLLVYIKIYIVLRKRRKRVNTKRSSRAFRANLKTPLKGNCTHPEDMKLCTVIMKSNGSFPVNRRRMDAARRAQELEMEMLSSTSPPERTRYSPIPPSHHQLTLPDPSHHGLHSNPDSPAKPEKNGHAKIVNPRIAKFFEIQTMPNGKTRTSLKTMSRRKLSQQKEKKATQMLAIVLGVFIICWLPFFITHILNIHCDCNIPPVLYSAFTWLGYVNSAVNPIIYTTFNIEFRKAFMKILHC
UniProt	P61169
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	CHEMBL339
IUPHAR	215
DrugBank	N/A

Ligand

Name	60547-97-9
Molecular formula	C14H19N5O2
IUPAC name	6,7-dimethoxy-2-piperazin-1-ylquinazolin-4-amine
Molecular weight	289.339
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	1.0
Synonyms	AC1LDCWJ APKHJGDGWQDBGM-UHFFFAOYSA-N CHEMBL1226 KS-1023 QUI029 0EC TC-159460 2-Piperazino-6,7-dimethoxyquinazoline-4-amine 4-Amino-6,7-dimethoxy-2-(1-piperazinyl)quinqzoline 4-Quinazolinamine, 6,7-dimethoxy-2-(1-piperazinyl)- 6,7-dimethoxy-2-piperazin-1-yl-quinazolin-4-amine AK105265 BDBM50073568 CTK5B1671 MLS000060939 SCHEMBL608966 2-(1-Piperazinyl)-4-amino-6,7-dimethoxyquinazoline VU0000318-6 4-amino-2-(1-piperazinyl)-6,7-dimethoxyquinazoline 4-amino-6,7-dimethoxy-2-piperazinoquinazoline 547D979 6,7-Dimethoxy-2-piperazino-4-aminoquinazoline AN-39430 CC-22341 FT-0640697 OR14899 ST088140 2-piperazine-4-amino-6,7-dimethoxyquinazoline 4-amino-6,7-dimethoxy-2-(1-piperazinyl)-quinazoline 4-amino-6,7dimethoxy-2-(1-piperazinyl)quinazoline 6,7-dimethoxy-2-(piperazin-1-yl)quinazolin-4-amine AC1Q4EXP AX8005463 cid_616267 M-1331 REGID_for_CID_616267 1X8JI3451K TL8003833 2-piperazinyl-4-amino-6,7-dimethoxy quinazoline 4-amino-6,7-dimethoxy-2-(1-piperzinyl)quinazoline 4-Quinazolinamine,6,7-dimethoxy-2-(1-piperazinyl)- 6,7-Dimethoxy-2-piperazin-1-yl-quinazolin-4-ylamine AKOS005713694 C-18181 DTXSID00209293 MolPort-001-840-027 SDCCGMLS-0023979.P002 2-Padqz ZINC203311 4-amino-2-piperazin-1-yl-6,7-dimethoxy-quinazoline 4-amino-6,7-dimethyoxy-2-(1-piperazinyl)-quinazoline 6,7-Dimethoxy-2-(1-piperazinyl)-4-quinazolinamine 6,7-Dimethoxy-2-piperazino-4-quinazolinylamine AC-17537 ANW-70715 HMS2421B15 PubChem9673 STL084882 2-piperazino-4-amino-6,7-dimethoxyquinazoline 4-amino-6,7-dimethoxy-2-(1-piperazinyl)quinazoline 4-Quinazolinamine, 6,7-dimethoxy-2-(1-piperazinyl) 6,7-Dimethoxy-2-piperazin-1-yl-quinazolin- AJ-17877 BC211845 CP-244 MCULE-2215314767 SC-46103 2-(1-piperazinyl)-4-amino-6,7-dimethoxy-quinazoline UNII-1X8JI3451K 2-Piperazinyl-4-amino-6,7-dimethoxyquinazoline 4-Amino-6,7-dimethoxy-2-piperazino-quinazoline 6,7-dimethoxy-2-piperazin-1-ylquinazolin-4-amine AMINODIMETHOXYQUINAZOLINYLPIPERAZINE (PIPERAZINE DERIVATIVE OF TERAZOSIN) CBDivE_007723 EU-0016066 Oprea1_697372 SMR000069167 2-Piperazine-4-Amino-6,7-Dimethoxy Quinazoline ZX-AT020488 4-amino-6,7-dimethoxy-2-(1-piperazinyl) quinazoline 4-amino-6,7-dimethyoxy-2-(1-piperazinyl)quinazoline 6,7-Dimethoxy-2-(1-piperazinyl)-4-quinazolinamine # 6,7-dimethoxy-2-piperazinylquinazoline-4-ylamine [ Show all ]
Inchi Key	APKHJGDGWQDBGM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H19N5O2/c1-20-11-7-9-10(8-12(11)21-2)17-14(18-13(9)15)19-5-3-16-4-6-19/h7-8,16H,3-6H2,1-2H3,(H2,15,17,18)
PubChem CID	616267
ChEMBL	CHEMBL1226
IUPHAR	N/A
BindingDB	50073568
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<1000.0 nM	PMID9986714	BindingDB,ChEMBL

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