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	Rattus norvegicus (Rat)
Gene	Hcar2
Synonym	Protein PUMA-G Nicotinic acid receptor Nic1 Niacr1 niacin receptor 1 HCA2 receptor G-protein coupled receptor HM74A G-protein coupled receptor HM74 G-protein coupled receptor 109A G-protein coupled receptor 109 G protein-coupled receptor 109A PUMAG [ Show all ]
Disease	N/A for non-human GPCRs
Length	360
Amino acid sequence	MSKQNHFLVINGKNCCVFRDENIAKVLPPVLGLEFVFGLLGNGLALWIFCFHLKSWKSSRIFLFNLAVADFLLIICLPFLTDNYVQNWDWRFGSIPCRVMLFMLAMNRQGSIIFLTVVAVDRYFRVVHPHHFLNKISNRTAAIISCFLWGITIGLTVHLLYTDMMTRNGDANLCSSFSICYTFRWHDAMFLLEFFLPLGIILFCSGRIIWSLRQRQMDRHVKIKRAINFIMVVAIVFVICFLPSVAVRIRIFWLLYKHNVRNCDIYSSVDLAFFTTLSFTYMNSMLDPVVYYFSSPSFPNFFSTCINRCLRRKTLGEPDNNRSTSVELTGDPSTIRSIPGALMTDPSEPGSPPYLASTSR
UniProt	Q80Z39
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	CHEMBL4731
IUPHAR	312
DrugBank	N/A

Ligand

Name	CHEMBL2036955
Molecular formula	C13H14N2O4
IUPAC name	5-(3-cyclopropylpropyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
Molecular weight	262.265
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	1.2
Synonyms	SCHEMBL12603351 BDBM50384641
Inchi Key	NFKAIVQHKVWFQF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H14N2O4/c16-9-6-8(3-1-2-7-4-5-7)10-11(17)14-13(18)15-12(10)19-9/h6-7H,1-5H2,(H2,14,15,17,18)
PubChem CID	15604637
ChEMBL	CHEMBL2036955
IUPHAR	N/A
BindingDB	50384641
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	2.0 nM	PMID24900372	BindingDB,ChEMBL

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