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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 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	3-nitro-4-(propylamino)benzoic acid
Molecular formula	C10H12N2O4
IUPAC name	3-nitro-4-(propylamino)benzoic acid
Molecular weight	224.216
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	2.7
Synonyms	Oprea1_580126 AJ-47422 CTK5C8384 EU-0029307 SR-01000575238 3-nitro-4-propylaminobenzoic acid AX8088500 I01-12521 ZINC3913732 68740-31-8 CHEMBL236011 OVDGUTHABMXVMI-UHFFFAOYSA-N 3-nitro-4-n-propylaminobenzoic acid AKOS000215630 D0K3LQ FT-0681498 SR-01000575238-1 4-(n-propyl)amino-3-nitrobenzoic acid Benzoic acid, 3-nitro-4-(propylamino)- MCULE-7246126259 3-nitro-4-(propylamino)-benzoic acid 8152AE compound 5c [PMID: 17931863] SCHEMBL2688335 3-nitro-4-propylamino-benzoic Acid AKOS015965521 DTXSID60471055 GTPL5801 TR-022933 [ Show all ]
Inchi Key	OVDGUTHABMXVMI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H12N2O4/c1-2-5-11-8-4-3-7(10(13)14)6-9(8)12(15)16/h3-4,6,11H,2,5H2,1H3,(H,13,14)
PubChem CID	11715556
ChEMBL	CHEMBL236011
IUPHAR	5801
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	29.51 nM	PMID17931863	ChEMBL
EC50	30.0 nM	PMID17931863	IUPHAR

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