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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 3
Species	Homo sapiens (Human)
Gene	HCAR3
Synonym	G-protein coupled receptor 109B Nicotinic acid receptor 2 Nic2 NIACR2 Niacin receptor 2 Low affinity nicotinic acid receptor G protein-coupled receptor 109B G-protein coupled receptor HM74B G-protein coupled receptor HM74 HCA3 receptor [ Show all ]
Disease	N/A
Length	387
Amino acid sequence	MNRHHLQDHFLEIDKKNCCVFRDDFIAKVLPPVLGLEFIFGLLGNGLALWIFCFHLKSWKSSRIFLFNLAVADFLLIICLPFVMDYYVRRSDWKFGDIPCRLVLFMFAMNRQGSIIFLTVVAVDRYFRVVHPHHALNKISNWTAAIISCLLWGITVGLTVHLLKKKLLIQNGTANVCISFSICHTFRWHEAMFLLEFFLPLGIILFCSARIIWSLRQRQMDRHAKIKRAITFIMVVAIVFVICFLPSVVVRIHIFWLLHTSGTQNCEVYRSVDLAFFITLSFTYMNSMLDPVVYYFSSPSFPNFFSTLINRCLQRKITGEPDNNRSTSVELTGDPNKTRGAPEALIANSGEPWSPSYLGPTSNNHSKKGHCHQEPASLEKQLGCCIE
UniProt	P49019
Protein Data Bank	N/A
GPCR-HGmod model	P49019
3D structure model	This predicted structure model is from GPCR-EXP P49019.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4421
IUPHAR	313
DrugBank	BE0000836

Ligand

Name	2-Hydroxyoctanoic acid
Molecular formula	C8H16O3
IUPAC name	2-hydroxyoctanoic acid
Molecular weight	160.213
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	2.0
Synonyms	KB-24521 NSC189703 ()-2-Hydroxycaprylic acid 2-Hydroxy-n-octanoic Acid a-Hydroxycaprylic acid alpha-Hydroxy-n-caprylic acid C-51793 DL-2-Hydroxyoctanoic acid MCULE-1679305682 racemic 2-hydroxyoctanoic acid (+/-)-2-Hydroxyoctanoic acid 2-Hydroxycaprylate 7972AF AC1L3ROE alpha-Hydroxyoctanoate D0Q3QI GTPL5796 NSC 189703 SCHEMBL17548 ( inverted exclamation markA)-2-Hydroxycaprylic acid 2-hydroxy caprylic acid a-Hydroxy-n-caprylic acid AKOS009157231 ANW-33939 DL-2-Hydroxycaprylic acid J-509684 KS-0000125T Octanoic acid, 2-hydroxy- ()-2-Hydroxyoctanoic acid 2-Hydroxy-n-octanoicAcid 617-73-2 a-Hydroxyoctanoate alpha-Hydroxycaprylate CHEBI:86543 EINECS 210-524-3 MFCD00014410 RL04338 .alpha.-Hydroxy-n-caprylic acid 2-Hydroxycaprylic acid 92348-62-4 AC1Q5ST1 alpha-Hydroxyoctanoic acid DB-053984 hydroxycaprylic acid JKRDADVRIYVCCY-UHFFFAOYSA-N NSC-189703 TL8003944 (±)-2-Hydroxyoctanoic acid 2-Hydroxy-n-caprylic Acid 2-hydroxyoctans a-Hydroxycaprylate alpha-Hydroxy-n-caprylate bmse000572 DL-2-Hydroxyoctanoate LMFA01050020 Octanoic acid, hydroxy- (+/-)-2-Hydroxycaprylic acid 2-hydroxy-octanoic acid 617H732 a-Hydroxyoctanoic acid alpha-Hydroxycaprylic acid CTK3H0179 FT-0612629 MolPort-003-913-295 RT-000964 .alpha.-Hydroxycaprylic acid 2-Hydroxyoctanoate a-Hydroxy-n-caprylate ACMC-1CLTQ AN-46620 DL-2-Hydroxycaprylate Hydroxyoctanoate [ Show all ]
Inchi Key	JKRDADVRIYVCCY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C8H16O3/c1-2-3-4-5-6-7(9)8(10)11/h7,9H,2-6H2,1H3,(H,10,11)
PubChem CID	94180
ChEMBL	N/A
IUPHAR	5796
BindingDB	N/A
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	4000.0 nM	PMID19561068	IUPHAR

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