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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-(methylamino)-3-nitrobenzoic acid
Molecular formula	C8H8N2O4
IUPAC name	4-(methylamino)-3-nitrobenzoic acid
Molecular weight	196.162
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	1.9
Synonyms	RTC-067597 W6172 263M745 41263-74-5 ACN-S003813 ANW-29597 BR-40000 DTXSID20300675 LS10744 MolPort-002-466-739 SCHEMBL321911 AB0000490 AK-40000 BC686815 CM12846 J-513766 PubChem17378 TC-067597 4-Methylamino-3-nitro-benzoic acid AC1Q1YPC AM20061057 Benzoic acid, 4-(methylamino)-3-nitro- DB-070164 KSC236M4D S-1234 ZINC3887891 3-nitro-4-methylaminobenzoic acid 4CH-015700 AE-641/04642006 AT-32678 EN300-09753 M2423 NSC-138300 ST2411017 4-(methylamino)-3-nitrobenzoicacid AC-596 AKOS000214826 BCP08906 CS-W002629 KB-36537 RP04031 TRA0157172 4-Methylamino-3-nitrobenzoic acid AC1Q40VD AN-746 BP-30015 DS-1047 KSMLIIWEQBYUKA-UHFFFAOYSA-N SC-44956 4-(methylamino)-3-nitro-benzoic acid A1-00098 AJ-47278 BB 0218125 CHEMBL237731 FT-0647367 MCULE-9249468232 NSC138300 SY009730 4-Methylamino-3-nitro benzoic acid AC1L5YPO AKOS015965483 BEN224 CTK1D6641 KS-00000CMD [ Show all ]
Inchi Key	KSMLIIWEQBYUKA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C8H8N2O4/c1-9-6-3-2-5(8(11)12)4-7(6)10(13)14/h2-4,9H,1H3,(H,11,12)
PubChem CID	283475
ChEMBL	CHEMBL237731
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	1905.46 nM	PMID17931863	ChEMBL

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