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GLASS

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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.
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GPCR

Name	Hydroxycarboxylic acid receptor 2
Species	Homo sapiens (Human)
Gene	HCAR2
Synonym	G-protein coupled receptor HM74A G-protein coupled receptor 109A PUMAG Nicotinic acid receptor HCA2 receptor Nic1 Niacin receptor 1 Niacr1 G protein-coupled receptor 109A [ Show all ]
Disease	Hyperlipidaemia Acute ischemic stroke Arteriosclerosis Atherosclerosis Cardiovascular disorder Major depressive disorder Type 2 diabetes [ Show all ]
Length	363
Amino acid sequence	MNRHHLQDHFLEIDKKNCCVFRDDFIVKVLPPVLGLEFIFGLLGNGLALWIFCFHLKSWKSSRIFLFNLAVADFLLIICLPFLMDNYVRRWDWKFGDIPCRLMLFMLAMNRQGSIIFLTVVAVDRYFRVVHPHHALNKISNRTAAIISCLLWGITIGLTVHLLKKKMPIQNGGANLCSSFSICHTFQWHEAMFLLEFFLPLGIILFCSARIIWSLRQRQMDRHAKIKRAITFIMVVAIVFVICFLPSVVVRIRIFWLLHTSGTQNCEVYRSVDLAFFITLSFTYMNSMLDPVVYYFSSPSFPNFFSTLINRCLQRKMTGEPDNNRSTSVELTGDPNKTRGAPEALMANSGEPWSPSYLGPTSP
UniProt	Q8TDS4
Protein Data Bank	N/A
GPCR-HGmod model	Q8TDS4
3D structure model	This predicted structure model is from GPCR-EXP Q8TDS4.
BioLiP	N/A
Therapeutic Target Database	T00864
ChEMBL	CHEMBL3785
IUPHAR	312
DrugBank	BE0000635

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	92933-47-6 5-Isopropyl-2H-pyrazole-3-carboxylic acid 3-isopropyl-1H-pyrazole-5-carboxylic acid 5-ISOPROPYLPYRAZOLE-3-CARBOXYLIC ACID 3-(propan-2-yl)-1H-pyrazole-5-carboxylic acid CHEMBL238002 CHWXKAHFWLSLOQ-UHFFFAOYSA-N 1H-Pyrazole-3-carboxylic acid, 5-(1-methylethyl)- 890590-91-7 5-isopropyl-1H-pyrazol-3-carboxylic acid 5-(propan-2-yl)-1H-pyrazole-3-carboxylic acid 3-(methylethyl)pyrazole-5-carboxylic acid PubChem22754 BAS 15375081 ACMC-20cbo3 AC1LFDP2 AC1Q1OGL AC1Q1OYW AC1Q5UGZ ChemDiv2_003364 D0IC7C Oprea1_070012 Oprea1_115867 MLS000067212 SCHEMBL1739326 5-isopropyl-3-carboxyl-pyrazole CTK5G2493 CTK5H1901 MolPort-000-183-309 MolPort-003-748-659 HMS1378I20 HMS2480B08 ACN-P001039 ALBB-005265 KS-00000K8K ZINC5686012 5-isopropylpyrazol-3-carboxylic acid BBL008246 BDBM50211363 FC0632 MFCD02224142 MFCD05170240 SBB010346 STK501183 3-Isopropylpyrazole-5-carboxylic acid AKOS000271363 AKOS002436024 AKOS025394901 AB11579 BS-3854 CS-W006370 MCULE-7390245939 RP00176 AJ-70741 AK-36894 BC262244 KB-88190 SMR000124646 AB0037446 DB-011449 RT-010352 ST2406290 ST4140384 TR-042750 3-Isopropylpyrazole-5-carboxylic acid, 97% 4CH-000753 BB 0219317 FT-0083394 FT-0642232 Y4730 5-propan-2-yl-1H-pyrazole-3-carboxylic acid EN300-41163 L-2002 Y-1630 5-(1-methylethyl)-1H-pyrazole-3-carboxylic acid SR-01000597148 1H-Pyrazole-5-carboxylic acid, 3-(1-methylethyl)- A1-00182 I11-0345 J-517652 SR-01000597148-1 F0917-7551 Z425389704 [ 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
EC50	<1000.0 nM	PMID17804224	ChEMBL
EC50	109.65 nM	PMID17804224	ChEMBL
EC50	110.0 nM	PMID17804224	BindingDB
EC50	8300.0 nM	PMID17588745	BindingDB,ChEMBL
Efficacy	95.0 %	PMID17804224	ChEMBL
IC50	2600.0 nM	PMID17452318	BindingDB,ChEMBL
Inhibition	98.0 %	PMID17452318	ChEMBL

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