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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.
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GPCR

Name	Hydroxycarboxylic acid receptor 2
Species	Homo sapiens (Human)
Gene	HCAR2
Synonym	G protein-coupled receptor 109A PUMAG Nicotinic acid receptor Nic1 Niacr1 Niacin receptor 1 G-protein coupled receptor 109A G-protein coupled receptor HM74A HCA2 receptor [ Show all ]
Disease	Type 2 diabetes Hyperlipidaemia Major depressive disorder Cardiovascular disorder Atherosclerosis Arteriosclerosis Acute ischemic stroke [ 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	3-hydroxy-5-(trifluoromethyl)benzoic Acid
Molecular formula	C8H5F3O3
IUPAC name	3-hydroxy-5-(trifluoromethyl)benzoic acid
Molecular weight	206.12
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	2.0
Synonyms	AN-44319 CHEMBL2146907 FT-0081492 S-5405 Z1741967079 328H698 AC-26052 ACT00885 BDBM50391821 CS-W015347 KS-00000NMX SCHEMBL477824 5-hydroxy-3-trifluoromethyl-benzoic acid AKOS005259697 BR-34710 FC1098 MolPort-001-778-490 TRA0022134 3-hydroxy-5-trifluoromethylbenzoicacid AB0024236 ANW-72881 CL8089 FT-0651162 SBB093590 ZINC15442784 3-Carboxy-5-(trifluoromethyl)phenol 4CH-015587 AC1MD3V5 AJ-67422 Benzoic acid, 3-hydroxy-5-(trifluoromethyl)- CTK3J6421 KSC496I2D ST2417733 3-Hydroxy-5-trifluoromethyl-benzoic acid AM84002 FS-2057 RT-003006 W5461 328-69-8 AB32076 ACMC-1CPRZ BBL101599 CM12815 KB-32175 SC-52492 3-Carboxy-5-hydroxybenzotrifluoride 5-hydroxy-3-(trifluoromethyl)benzoic acid AK-34710 BJUOAPFXYPEEMK-UHFFFAOYSA-N DTXSID00382459 MFCD07368783 STL555395 3-Hydroxy-5-trifluoromethylbenzoic acid A5872 [ Show all ]
Inchi Key	BJUOAPFXYPEEMK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C8H5F3O3/c9-8(10,11)5-1-4(7(13)14)2-6(12)3-5/h1-3,12H,(H,13,14)
PubChem CID	2783146
ChEMBL	CHEMBL2146907
IUPHAR	N/A
BindingDB	50391821
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	<1000000.0 nM	PMID24900524	BindingDB,ChEMBL

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