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	5-Meo-dpac
Molecular formula	C16H25NO2
IUPAC name	5-methoxy-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
Molecular weight	263.381
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	3.8
Synonyms	(5-Methoxy-chroman-3-yl)-dipropyl-amine 5-Methoxy-3-(dipropylamino)chroman D0L8NG 3-(Di-n-propylamino)-5-methoxychroman AC1MIZ4R SCHEMBL2217080 5-methoxy-3,4-dihydro-N,N-dipropyl-2H-[1]-benzopyran-3-amine CHEMBL283606 110927-00-9 5-methoxy-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine GOWYIQOIWRLZLO-UHFFFAOYSA-N 3-Dipropylamino-5-methyloxychroman BDBM50036862 5-Methoxy-3-(di-n-propylamino)chroman CTK8G5655 2H-1-Benzopyran-3-amine, 3,4-dihydro-5-methoxy-N,N-dipropyl- L023817 [ Show all ]
Inchi Key	GOWYIQOIWRLZLO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H25NO2/c1-4-9-17(10-5-2)13-11-14-15(18-3)7-6-8-16(14)19-12-13/h6-8,13H,4-5,9-12H2,1-3H3
PubChem CID	3082597
ChEMBL	CHEMBL283606
IUPHAR	N/A
BindingDB	50036862
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	50.0 nM	PMID8863806	BindingDB
IC50	50.0 nM	PMID8863806, PMID7912735	ChEMBL
IC50	140.0 nM	PMID7912735	BindingDB,ChEMBL
IC50	210.0 nM	PMID7912735	ChEMBL

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