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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	4-(butylamino)-3-nitrobenzoic acid
Molecular formula	C11H14N2O4
IUPAC name	4-(butylamino)-3-nitrobenzoic acid
Molecular weight	238.243
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	3.1
Synonyms	AC1MD2E4 BS-4466 KS-00003HY7 TR-003371 120321-65-5 AKOS000214369 CTK4B1794 PATRMRVHZVOHEB-UHFFFAOYSA-N 4-butylamino-3-nitro-benzoic Acid BC4123924 I01-13415 SR-01000575353-1 ACMC-1CITY MCULE-5838318510 Z56760421 3-Nitro-4-(butylamino)benzoic acid AKOS015965481 DTXSID10385259 SCHEMBL6044176 4-butylamino-3-nitrobenzoic acid Benzoic acid,4-(butylamino)-3-nitro- KB-241015 ST50052139 0864AD AJ-46506 CHEMBL236219 MolPort-000-225-074 ZINC3877940 AX8095434 FT-0681504 SR-01000575353 [ Show all ]
Inchi Key	PATRMRVHZVOHEB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H14N2O4/c1-2-3-6-12-9-5-4-8(11(14)15)7-10(9)13(16)17/h4-5,7,12H,2-3,6H2,1H3,(H,14,15)
PubChem CID	2829816
ChEMBL	CHEMBL236219
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	158.49 nM	PMID17931863	ChEMBL

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