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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 1
Species	Homo sapiens (Human)
Gene	HCAR1
Synonym	lactate receptor 1 LACR1 HCA1 receptor Gpr81 G-protein coupled receptor 81 G-protein coupled receptor 104 G protein-coupled receptor 81 G protein-coupled receptor 104 FKSG80 T-cell activation G protein-coupled receptor [ Show all ]
Disease	N/A
Length	346
Amino acid sequence	MYNGSCCRIEGDTISQVMPPLLIVAFVLGALGNGVALCGFCFHMKTWKPSTVYLFNLAVADFLLMICLPFRTDYYLRRRHWAFGDIPCRVGLFTLAMNRAGSIVFLTVVAADRYFKVVHPHHAVNTISTRVAAGIVCTLWALVILGTVYLLLENHLCVQETAVSCESFIMESANGWHDIMFQLEFFMPLGIILFCSFKIVWSLRRRQQLARQARMKKATRFIMVVAIVFITCYLPSVSARLYFLWTVPSSACDPSVHGALHITLSFTYMNSMLDPLVYYFSSPSFPKFYNKLKICSLKPKQPGHSKTQRPEEMPISNLGRRSCISVANSFQSQSDGQWDPHIVEWH
UniProt	Q9BXC0
Protein Data Bank	N/A
GPCR-HGmod model	Q9BXC0
3D structure model	This predicted structure model is from GPCR-EXP Q9BXC0.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1075101
IUPHAR	311
DrugBank	N/A

Ligand

Name	3-hydroxy-5-methylbenzoic acid
Molecular formula	C8H8O3
IUPAC name	3-hydroxy-5-methylbenzoic acid
Molecular weight	152.149
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	1.5
Synonyms	AK-47209 BDBM50391819 CTK3J4996 KSC494S9N S-5999 Z1255523409 3-hydroxy-5-methylbenzoicacid AB0030856 AC-944 AN-15441 CFXOUQXGRQXUSE-UHFFFAOYSA-N EN300-84081 NSC-28456 STL555376 3-HYDROX-5-METHYLBENZOIC ACID 4CH-003267 ACT07354 BBL101580 CL8088 KB-32167 QC-10603 W-203198 585-81-9 AKOS005259855 Benzoic acid, 3-hydroxy-5-methyl- DB-072503 MCULE-6111297909 SCHEMBL987044 ZINC1646464 3-methyl-5-hydroxy-benzoic acid AB1007712 AC1L5MDH ANW-48428 FS-2415 NSC28456 SY012261 3-Hydroxy-5-methyl benzoic acid 5-Hydroxy-m-toluic acid AJ-28686 BC203205 CS-0030557 KS-00000NMY RTR-033310 X3116 3-hydroxy-5-methylbenzoic aicd 585H819 AM84165 BR-47209 DTXSID00207219 MolPort-005-933-293 ST2417734 3,5-Cresotic acid 3-methyl-5-oxidanyl-benzoic acid AB52735 AC1Q5TRP AW5 CHEMBL2146905 FT-0757074 PubChem18175 TR-033310 3-Hydroxy-5-methyl-benzoic acid [ Show all ]
Inchi Key	CFXOUQXGRQXUSE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C8H8O3/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4,9H,1H3,(H,10,11)
PubChem CID	231756
ChEMBL	CHEMBL2146905
IUPHAR	N/A
BindingDB	50391819
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	42000.0 nM	PMID24900524	BindingDB,ChEMBL

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