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	Hydroxycarboxylic acid receptor 2
Species	Homo sapiens (Human)
Gene	HCAR2
Synonym	G protein-coupled receptor 109A PUMAG Nicotinic acid receptor Nic1 Niacr1 Niacin receptor 1 G-protein coupled receptor 109A G-protein coupled receptor HM74A HCA2 receptor [ Show all ]
Disease	Type 2 diabetes Hyperlipidaemia Major depressive disorder Cardiovascular disorder Atherosclerosis Arteriosclerosis Acute ischemic stroke [ Show all ]
Length	363
Amino acid sequence	MNRHHLQDHFLEIDKKNCCVFRDDFIVKVLPPVLGLEFIFGLLGNGLALWIFCFHLKSWKSSRIFLFNLAVADFLLIICLPFLMDNYVRRWDWKFGDIPCRLMLFMLAMNRQGSIIFLTVVAVDRYFRVVHPHHALNKISNRTAAIISCLLWGITIGLTVHLLKKKMPIQNGGANLCSSFSICHTFQWHEAMFLLEFFLPLGIILFCSARIIWSLRQRQMDRHAKIKRAITFIMVVAIVFVICFLPSVVVRIRIFWLLHTSGTQNCEVYRSVDLAFFITLSFTYMNSMLDPVVYYFSSPSFPNFFSTLINRCLQRKMTGEPDNNRSTSVELTGDPNKTRGAPEALMANSGEPWSPSYLGPTSP
UniProt	Q8TDS4
Protein Data Bank	N/A
GPCR-HGmod model	Q8TDS4
3D structure model	This predicted structure model is from GPCR-EXP Q8TDS4.
BioLiP	N/A
Therapeutic Target Database	T00864
ChEMBL	CHEMBL3785
IUPHAR	312
DrugBank	BE0000635

Ligand

Name	SCHEMBL3187607
Molecular formula	C9H9ClN4O2
IUPAC name	3-but-3-enyl-8-chloro-7H-purine-2,6-dione
Molecular weight	240.647
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	1.5
Synonyms	BBRQSDQHDAVESH-UHFFFAOYSA-N 3-(3-buten-1-yl)-8-chloro-3,7-dihydro-1H-purine-2,6-dione CHEMBL3732616
Inchi Key	BBRQSDQHDAVESH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H9ClN4O2/c1-2-3-4-14-6-5(11-8(10)12-6)7(15)13-9(14)16/h2H,1,3-4H2,(H,11,12)(H,13,15,16)
PubChem CID	11241937
ChEMBL	CHEMBL3732616
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	>12589.2 nM	None	ChEMBL
Efficacy	<30.0 %	None	ChEMBL

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