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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-(pyrrolidin-1-yl)benzoic acid
Molecular formula	C11H12N2O4
IUPAC name	3-nitro-4-pyrrolidin-1-ylbenzoic acid
Molecular weight	236.227
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	1.9
Synonyms	MCULE-6186842752 STK035890 3-nitro-4-(1-pyrrolidinyl)benzoic acid AC1Q73BT CHEMBL235167 DTXSID80394878 Oprea1_270364 ZINC3884580 3-nitro-4-pyrrolidin-1-ylbenzoic acid BB 0245692 FT-0765118 SR-01000575273-1 AB00109082-01 Cambridge id 6497810 MKTQASLRSMDHRE-UHFFFAOYSA-N TR-048393 AJ-47155 CTK4I3855 EN300-00040 SCHEMBL2773960 3-nitro-4-pyrrolidinylbenzoic acid BBL009593 KB-106118 ST50407297 2825AE AC1MUUCF MolPort-001-001-964 W-9131 3-nitro-4-pyrrolidin-1-yl-benzoic Acid AKOS000109235 DB-027867 EU-0029288 SR-01000575273 40832-81-3 Benzoic acid, 3-nitro-4-(1-pyrrolidinyl)- [ Show all ]
Inchi Key	MKTQASLRSMDHRE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H12N2O4/c14-11(15)8-3-4-9(10(7-8)13(16)17)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,14,15)
PubChem CID	3671930
ChEMBL	CHEMBL235167
IUPHAR	N/A
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	>10000.0 nM	PMID17931863	ChEMBL

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