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	UNII-8L7H229K4I
Molecular formula	C14H21NO
IUPAC name	3-[(3R)-1-propylpiperidin-3-yl]phenol
Molecular weight	219.328
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	3.0
Synonyms	SCHEMBL8354256 3-(1-Propyl-piperidin-3-yl)-phenol CCG-205066 NCGC00015776-02 ZINC393 cid_202478 PDSP2_000624 R-3-(3-Hydroxyphenyl)-N-propylpiperidine HCl (r)-3-(3-hydroxyphenyl)-N-propylpiperidine AC1L48LV Lopac0_000986 SR-01000075393-11 3-[(3R)-1-propylpiperidin-3-yl]phenol NCGC00162308-02 85976-54-1 Lopac-P-102 Preclamol, (R)- R-3-(3-Hydroxyphenyl)-N-propylpiperidine hydrochloride 3-((R)-1-Propyl-piperidin-3-yl)-phenol BDBM50010618 NCGC00015776-01 3PPP,(-) CHEMBL7393 PDSP1_000628 R(+)-3-PPP (+)-3-(1-Propyl-piperidin-3-yl)-phenol 8L7H229K4I Lopac-P-103 [ Show all ]
Inchi Key	HTSNFXAICLXZMA-ZDUSSCGKSA-N
Inchi ID	InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m0/s1
PubChem CID	202478
ChEMBL	CHEMBL7393
IUPHAR	N/A
BindingDB	50010618
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Control	84.0 %	PMID2824773	ChEMBL
EI	0.61 -	PMID2824774	ChEMBL
IC50	98.0 nM	PMID1968512	BindingDB,ChEMBL
IC50	589.0 nM	PMID2824774	BindingDB
IC50	1698.0 nM	PMID8201608	BindingDB
IC50	1698.24 nM	PMID2824774	ChEMBL
IC50	1710.0 nM	PMID2824773	BindingDB,ChEMBL
IC50	23000.0 nM	PMID1968512	BindingDB,ChEMBL
Ki	189.0 nM	PMID3761308	BindingDB,ChEMBL
Log IC50	0.23 uM	PMID8201608	ChEMBL

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