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-isopropyl-1H-pyrazole-3-carboxylic acid
Molecular formula	C7H10N2O2
IUPAC name	5-propan-2-yl-1H-pyrazole-3-carboxylic acid
Molecular weight	154.169
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	1.2
Synonyms	Y-1630 5-isopropyl-1H-pyrazol-3-carboxylic acid 890590-91-7 AC1Q5UGZ ALBB-005265 CHEMBL238002 EN300-41163 J-517652 MolPort-000-183-309 SCHEMBL1739326 3-(methylethyl)pyrazole-5-carboxylic acid 3-Isopropylpyrazole-5-carboxylic acid ZINC5686012 5-isopropyl-3-carboxyl-pyrazole AB0037446 AJ-70741 BBL008246 CS-W006370 FT-0083394 L-2002 Oprea1_115867 SR-01000597148-1 STK501183 5-(1-methylethyl)-1H-pyrazole-3-carboxylic acid 5-propan-2-yl-1H-pyrazole-3-carboxylic acid AC1Q1OGL AKOS002436024 BS-3854 D0IC7C HMS2480B08 MFCD05170240 RT-010352 1H-Pyrazole-3-carboxylic acid, 5-(1-methylethyl)- 3-(propan-2-yl)-1H-pyrazole-5-carboxylic acid Y4730 92933-47-6 ACMC-20cbo3 BAS 15375081 ChemDiv2_003364 F0917-7551 KB-88190 MolPort-003-748-659 SMR000124646 3-Isopropylpyrazole-5-carboxylic acid, 97% 5-isopropylpyrazol-3-carboxylic acid AB11579 AK-36894 BC262244 CTK5G2493 FT-0642232 MCULE-7390245939 PubChem22754 ST2406290 TR-042750 5-(propan-2-yl)-1H-pyrazole-3-carboxylic acid AC1Q1OYW AKOS025394901 DB-011449 I11-0345 MLS000067212 SBB010346 1H-Pyrazole-5-carboxylic acid, 3-(1-methylethyl)- 3-isopropyl-1H-pyrazole-5-carboxylic acid Z425389704 5-Isopropyl-2H-pyrazole-3-carboxylic acid A1-00182 ACN-P001039 BB 0219317 CHWXKAHFWLSLOQ-UHFFFAOYSA-N FC0632 KS-00000K8K Oprea1_070012 SR-01000597148 ST4140384 4CH-000753 5-ISOPROPYLPYRAZOLE-3-CARBOXYLIC ACID AC1LFDP2 AKOS000271363 BDBM50211363 CTK5H1901 HMS1378I20 MFCD02224142 RP00176 [ Show all ]
Inchi Key	CHWXKAHFWLSLOQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C7H10N2O2/c1-4(2)5-3-6(7(10)11)9-8-5/h3-4H,1-2H3,(H,8,9)(H,10,11)
PubChem CID	776421
ChEMBL	CHEMBL238002
IUPHAR	N/A
BindingDB	50211363
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	683.0 nM	PMID12930155	BindingDB,ChEMBL

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