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	5-phenethyl-1H-pyrazole-3-carboxylic Acid
Molecular formula	C12H12N2O2
IUPAC name	5-(2-phenylethyl)-1H-pyrazole-3-carboxylic acid
Molecular weight	216.24
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	2.3
Synonyms	SCHEMBL17672395 AKOS016013666 D09UXZ 1H-Pyrazole-3-carboxylic acid, 5-(2-phenylethyl)- BBL035265 MolPort-022-664-580 5-(2-phenylethyl)-1h-pyrazole-3-carboxylic acid 595610-56-3 CHEMBL129385 STL426411 AKOS022947847 DTXSID50474116 3-(2-phenylethyl)-1H-pyrazole-5-carboxylic acid BDBM50132146 SCHEMBL1149172 AJ-64058 CTK7I6521 ZINC13526610 AX8249620 MolPort-022-231-591 3-phenethyl-1H-pyrazole-5-carboxylic acid [ Show all ]
Inchi Key	HHEBXMNODWRUEV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H12N2O2/c15-12(16)11-8-10(13-14-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,13,14)(H,15,16)
PubChem CID	11830866
ChEMBL	CHEMBL129385
IUPHAR	N/A
BindingDB	50132146
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	1570.0 nM	PMID12930155	BindingDB,ChEMBL

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