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	3-propyl-1H-pyrazole-5-carboxylic acid
Molecular formula	C7H10N2O2
IUPAC name	5-propyl-1H-pyrazole-3-carboxylic acid
Molecular weight	154.169
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	1.3
Synonyms	MCULE-2411097064 STL244838 3-n-propyl-1H-pyrazole-5-carboxylic acid 76424-47-0 BAS 01543590 D0U6SQ MS-2036 3-propylpyrazole-5-carboxylic acid AC1LDWNQ BDBM50220850 FT-0691105 KM1764 SCHEMBL1092 1H-Pyrazole-3-carboxylic acid, 5-propyl- AKOS000136076 CTK2H6772 MolPort-000-929-573 TR-043690 9410AE BB 0254140 DTXSID20350296 Oprea1_206890 5-Propyl-1H-pyrazole-3-carboxylic acid AC1Q2V2W HMS1697E16 KS-00003OFY ST50253898 1H-Pyrazole-3-carboxylicacid, 5-propyl- 700P341 AKOS000646963 CTK6D4610 MolPort-001-965-385 ZINC39600 3-Propyl-1H-pyrazole-5-carboxylic acid, AldrichCPR A838697 BBL031087 EN300-28546 QYPSYPPSHXDFLV-UHFFFAOYSA-N 5-Propyl-2H-pyrazole-3-carboxylic acid AJ-08872 CHEMBL237788 KB-33214 [ Show all ]
Inchi Key	QYPSYPPSHXDFLV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C7H10N2O2/c1-2-3-5-4-6(7(10)11)9-8-5/h4H,2-3H2,1H3,(H,8,9)(H,10,11)
PubChem CID	676464
ChEMBL	CHEMBL237788
IUPHAR	N/A
BindingDB	50220850
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	143.0 nM	PMID12930155	BindingDB,ChEMBL

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