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	Mus musculus (Mouse)
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	MSKSDHFLVINGKNCCVFRDENIAKVLPPVLGLEFVFGLLGNGLALWIFCFHLKSWKSSRIFLFNLAVADFLLIICLPFLTDNYVHNWDWRFGGIPCRVMLFMLAMNRQGSIIFLTVVAVDRYFRVVHPHHFLNKISNRTAAIISCFLWGLTIGLTVHLLYTNMMTKNGEAYLCSSFSICYNFRWHDAMFLLEFFLPLAIILFCSGRIIWSLRQRQMDRHAKIKRAINFIMVVAIVFIICFLPSVAVRIRIFWLLYKYNVRNCDIYSSVDLAFFTTLSFTYMNSMLDPVVYYFSSPSFPNFFSTCINRCLRKKTLGEPDNNRSTSVELTGDPSTTRSIPGALMADPSEPGSPPYLASTSR
UniProt	Q9EP66
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	CHEMBL4420
IUPHAR	312
DrugBank	N/A

Ligand

Name	CHEMBL1208925
Molecular formula	C11H10N2O2S
IUPAC name	5-thiophen-3-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid
Molecular weight	234.273
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	1.8
Synonyms	SCHEMBL13935696 5-(thiophen-3-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid BDBM50323396
Inchi Key	NORFNLMDAVXSMV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H10N2O2S/c14-11(15)10-8-3-7(4-9(8)12-13-10)6-1-2-16-5-6/h1-2,5,7H,3-4H2,(H,12,13)(H,14,15)
PubChem CID	12003597
ChEMBL	CHEMBL1208925
IUPHAR	N/A
BindingDB	50323396
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	80.0 nM	PMID20615702	BindingDB,ChEMBL

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