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GPCR

Name	Hydroxycarboxylic acid receptor 2
Species	Homo sapiens (Human)
Gene	HCAR2
Synonym	G protein-coupled receptor 109A PUMAG Nicotinic acid receptor Nic1 Niacr1 Niacin receptor 1 G-protein coupled receptor 109A G-protein coupled receptor HM74A HCA2 receptor [ Show all ]
Disease	Type 2 diabetes Hyperlipidaemia Major depressive disorder Cardiovascular disorder Atherosclerosis Arteriosclerosis Acute ischemic stroke [ Show all ]
Length	363
Amino acid sequence	MNRHHLQDHFLEIDKKNCCVFRDDFIVKVLPPVLGLEFIFGLLGNGLALWIFCFHLKSWKSSRIFLFNLAVADFLLIICLPFLMDNYVRRWDWKFGDIPCRLMLFMLAMNRQGSIIFLTVVAVDRYFRVVHPHHALNKISNRTAAIISCLLWGITIGLTVHLLKKKMPIQNGGANLCSSFSICHTFQWHEAMFLLEFFLPLGIILFCSARIIWSLRQRQMDRHAKIKRAITFIMVVAIVFVICFLPSVVVRIRIFWLLHTSGTQNCEVYRSVDLAFFITLSFTYMNSMLDPVVYYFSSPSFPNFFSTLINRCLQRKMTGEPDNNRSTSVELTGDPNKTRGAPEALMANSGEPWSPSYLGPTSP
UniProt	Q8TDS4
Protein Data Bank	N/A
GPCR-HGmod model	Q8TDS4
3D structure model	This predicted structure model is from GPCR-EXP Q8TDS4.
BioLiP	N/A
Therapeutic Target Database	T00864
ChEMBL	CHEMBL3785
IUPHAR	312
DrugBank	BE0000635

Ligand

Name	nicotinic acid
Molecular formula	C6H5NO2
IUPAC name	pyridine-3-carboxylic acid
Molecular weight	123.111
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	0.4
Synonyms	AJ-08093 Prestwick0_000881 11054-EP2301935A1 ANW-75276 Pyridine-.beta.-carboxylic acid 11054-EP2308858A1 bmse000104 RP00705 11054-EP2316457A1 CAS-59-67-6 SDCCGMLS-0066610.P001 CS-1946 Spectrum3_000515 3-Carboxylpyridine Diacin SR-01000722017-4 3-Pyridylcarboxylic acid Nicotinic acid-d3(major) EC 200-441-0 Tox21_110337 54-86-4 (hydrochloride salt) Nikazan 10361-13-4 (iron(2+) salt) wampocap AB00052050_14 NSC169454 11054-EP2274983A1 Acide nicotinique Pellagra preventive factor 11054-EP2295409A1 Nicodelmine KBio1_000695 Nicoside Kyselina nikotinova Nicotinamide-carbonyl-14C Merck Brand of Niacinamide Nicotinic acid [INN] NC00524 Nicotinic acid, European Pharmacopoeia (EP) Reference Standard NCGC00094734-01 Nicotinic acid, purum, >=99.0% (HPLC) Niacin (nicotinic acid) Niacinamide (TN) FT-0600004 Niacor (TN) HMS3259K21 NICO I14-92791 11054-EP2298772A1 Akotin Prestwick3_000881 11054-EP2305674A1 BCP16301 Pyridine-beta-carboxylic acid 11054-EP2311816A1 BRN 0109591 SAM002554917 11054-EP2316826A1 CCRIS 1902 SMR000059024 1976-28-9 (aluminum salt) Daskil Spectrum_001063 3-Picolinic acid; Niacin; Pellagra preventive factor; Pyridine-3-carboxylic acid; Vitamin B3 DSSTox_CID_932 STK301803 3DDB011E-F3A6-45B6-A2D2-77B2A6E8936E Nicotinsaure [German] Tox21_302904 7069-06-9 (magnesium salt) NIO 11054-EP2270002A1 ZINC1795 ABT-919 Opera_ID_1346 11054-EP2280001A1 Acido nicotinico [INN-Spanish] Pelonin Induracin Niconacid KBio2_006679 Nicotene Linic MolPort-000-142-273 Nicotinic acid, >=98% NCGC00016268-03 Nicotinic acid, matrix substance for MALDI-MS, >=99.5% (HPLC) NCGC00258971-01 Nicotinic acid, Vetec(TM) reagent grade, >=98% Niacin (USP) Enduracin Niacinamide Merck Brand HMS1570B04 NIASPAN TITRATION STARTER PACK HMS3714B04 nicobid ACMC-1AS6M Pharmakon1600-01500430 11054-EP2301923A1 anti-Pellagra vitamin PubChem2594 11054-EP2308848A1 BIDD:GT0644 Pyridinecarboxylic acid, 3- 11054-EP2311830A1 C00253 SC-05611 123574-58-3 CHEMBL573 SPECTRUM1500430 28029-53-0 (cobalt(2+) salt) SR-01000722017-2 3-Pyridinecarboxylicacid DTXSID1020932 Tega-Span 5-pyridinecarboxylic acid Nicyl vitamin B3 AB00052050 NSC-169454 11054-EP2272834A1 [5, 6-3H]-niacin AC1L1AD5 P.P. factor-pellagra preventive factor 11054-EP2292610A1 Nicocrisina KB-259513 Nicorol KBioSS_001543 Nicotinamide (Niacinamide) m-Pyridinecarboxylic acid Nicotinic Acid 1.0 mg/ml in Methanol NAH Nicotinic acid, BioReagent, suitable for cell culture, suitable for insect cell culture, suitable for plant cell culture, >=98% NCGC00016268-08 Nicotinic acid, Ph Eur Niac Niacin, United States Pharmacopeia (USP) Reference Standard FC1287 niacine HMS2097B04 nicamin HY-B0143 AK-46486 Prestwick1_000881 11054-EP2301937A1 Apelagrin Pyridine-3-carbonic acid 11054-EP2308874A1 BP-21419 S115 11054-EP2316458A1 Caswell No. 598 SK-Niacin D00049 Spectrum4_000965 3-Carboxypyridine Direktan ST097540 36321-41-2 (ammonium salt) Nicotinipca Efacin Tox21_110337_1 59-67-6 Nikotinsaeure 11054-EP2269610A2 WLN: T6NJ CVQ AB00052050_15 NSC757241 11054-EP2275401A1 Acide nicotinique [INN-French] Pellagramin 11054-EP2295424A1 IDI1_000695 Nicodon KBio2_001543 Nicosyl Kyselina nikotinova [Czech] nicotinate MFCD00006391 Nicotinic Acid [Matrix for MALDI-TOF/MS] NCGC00016268-01 Nicotinic acid, for inorganic trace analysis, >=99.999% (metals basis) NCGC00094734-02 Nicotinic acid, SAJ special grade, >=99.5% Niacin (Nicotinic Acid), Pharmaceutical Secondary Standard; Certified Reference Material Niacinamide Astra Brand GTPL1588 Niaspan HMS3371E07 Nico-400 Peviton 11054-EP2298776A1 AM81316 preventative factor 11054-EP2308838A1 BDBM23515 Pyridine-carboxylique-3 11054-EP2311817A1 BSPBio_000662 SBB004279 11054-EP2316827A1 CHEBI:15940 SPBio_000011 Davitamon PP SR 4390 3-pyridine carboxylic acid DSSTox_GSID_20932 STR00112 3PyrCOOH Nicovasan TR-032523 823-77-8 (calcium salt) Nipellen 11054-EP2270014A1 [3H]-Nicotinic acid AC-22484 Oprea1_514398 11054-EP2289510A1 Acidum nicotinicum J-523605 Niconat KBio3_001569 Nicotil LS-2334 Nicotinic acid (JP17/INN) N0082 Nicotinic acid, >=99.5% (HPLC) NCGC00016268-04 Nicotinic acid, meets USP testing specifications NCI60_001041 Nicotinic Acid,(S) Niacin [USAN] EPA Pesticide Chemical Code 056701 Niacinamide Pharmagenix Brand HMS1920P17 Nicacid HMS502C17 nicocap AI3-18994 PP Factor 11054-EP2301929A1 antipellagra vitamin PVNIIMVLHYAWGP-UHFFFAOYSA-N 11054-EP2308854A1 Bionic Pyridylcarboxylic Acid 11054-EP2314588A1 C6H5NO2 SCHEMBL1433 1580002-26-1 CPD000059024 Spectrum2_000006 28029-54-1 (manganese(2+) salt) DB00627 SR-01000722017-3 3-Pyridyl carboxylic acid EBD2198325 Tinic 53890-72-5 (lithium salt) Nikasan .beta.-Pyridinecarboxylic acid Vitaplex N AB00052050-13 NSC-757241 11054-EP2272848A1 AC1Q73P3 pellagra 11054-EP2295406A1 Nicodan KB-33243 Nicosan 3 KSC236Q9T Nicotinamide (TN) MCULE-3788394698 Nicotinic acid [INN:BAN] Naotin Nicotinic acid, certified reference material, TraceCERT(R) NCGC00016268-09 Nicotinic acid, plant cell culture tested niacin Niacin-Vitamin B3 FT-0082580 Niacor HMS2236A05 Nicangin I02-0699 AKOS000118980 Prestwick2_000881 11054-EP2305651A1 Astra Brand of Niacinamide Pyridine-3-carboxylic acid 11054-EP2311808A1 BPBio1_000730 s1744 11054-EP2316825A1 CCG-38340 Slo-niacin 16518-17-5 (potassium salt) D06NVJ Spectrum5_001287 3-Picolinic acid DivK1c_000695 ST2413625 3789-96-6 (tartrate) Nicotinsaure Tox21_201420 636-79-3 (hydrochloride) NINDS_000695 11054-EP2269990A1 Z56755709 AB1002056 Nyclin 11054-EP2277848A1 Acido nicotinico Pellagrin 11054-EP2298742A1 InChI=1/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9 nicolar KBio2_004111 Nicotamin L001199 Nicotine acid MLS000069603 Nicotinic acid, 99.5% NCGC00016268-02 Nicotinic acid, for synthesis, 99% NCGC00256537-01 Nicotinic acid, specified according to the requirements of Ph. Eur Niacin (TN) EINECS 200-441-0 Niacinamide Jenapharm Brand GTPL1594 Niaspan (TN) HMS3655K08 Nico-Span Pharmagenix Brand of Niacinamide 11054-EP2298779A1 AN-23622 PS-4255 11054-EP2308839A1 beta-pyridinecarboxylic acid Pyridine-carboxylique-3 [French] 11054-EP2311829A1 BSPBio_002069 SBI-0051456.P003 11054-EP2316828A1 SPBio_002881 2679MF687A DB-007765 SR-01000722017 3-pyridinecarboxylic acid DSSTox_RID_75875 SW197229-3 5-22-02-00057 (Beilstein Handbook Reference) Nicovasen UNII-2679MF687A 99148-57-9 (tosylate) NSC 169454 11054-EP2272825A2 [3H]nicotinic acid AC-907/25014105 P.P. factor 11054-EP2292228A1 Acidum nicotinicum [INN-Latin] Nicocidin Jenapharm Brand of Niacinamide Niconazid KBioGR_001309 Nicotinamide (JP15/INN) M-5918 Nicotinic acid (Vitamin B3) solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material N1103 Nicotinic acid, analytical standard NCGC00016268-05 Nicotinic acid, NIST(R) SRM(R) 148 Ncotnc acd Niacin [USP] F2191-0082 Niacinamide, Nicotinic acid amide, Nicotinamide HMS2091H22 Nicagin HSDB 3134 [ Show all ]
Inchi Key	PVNIIMVLHYAWGP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
PubChem CID	938
ChEMBL	CHEMBL573
IUPHAR	1588, 1594
BindingDB	23515
DrugBank	DB00627
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
Activity	100.0 %	PMID18752940, PMID19592242	ChEMBL
Activity	200.0 %	PMID19524438	ChEMBL
EC50	<1000.0 nM	PMID17804224	ChEMBL
EC50	8.7 nM	PMID17804224	BindingDB
EC50	8.71 nM	PMID17804224	ChEMBL
EC50	26.92 nM	PMID19524438	ChEMBL
EC50	27.0 nM	PMID20363624, PMID19524438	BindingDB,ChEMBL
EC50	47.0 nM	PMID25737085	ChEMBL
EC50	51.0 nM	PMID22435740	BindingDB,ChEMBL
EC50	63.1 - 1000.0 nM	PMID12522134, PMID12563315, PMID12646212	IUPHAR
EC50	99.0 nM	PMID24900372	BindingDB,ChEMBL
EC50	100.0 nM	PMID24900295, PMID22209457	BindingDB,ChEMBL
EC50	120.0 nM	PMID17358052, PMID17588745	BindingDB,ChEMBL
EC50	527.0 nM	PMID20184326	BindingDB,ChEMBL
EC50	580.0 nM	PMID17452318	BindingDB,ChEMBL
EC50	730.0 nM	PMID26784936	BindingDB,ChEMBL
EC50	780.0 nM	PMID24900524	BindingDB,ChEMBL
EC50	1000.0 nM	PMID17994679, PMID20444602, PMID19309152, PMID18029181, PMID18752940, PMID19592242, PMID20452209	BindingDB,ChEMBL
EC50	1400.0 nM	PMID18760600	BindingDB,ChEMBL
Efficacy	95.0 %	PMID17804224, PMID22435740	ChEMBL
Efficacy	100.0 %	PMID20363624	ChEMBL
Fold change	0.0 -	PMID17994679	ChEMBL
IC50	130.0 nM	PMID18760600	BindingDB,ChEMBL
IC50	140.0 nM	PMID17994679, PMID20444602, PMID19307116, PMID20615702, PMID19309152, PMID18029181, PMID19592242, PMID20452209	BindingDB,ChEMBL
IC50	150.0 nM	PMID18752940	BindingDB,ChEMBL
IC50	249.0 nM	PMID25737085	ChEMBL
IC50	67300.0 nM	PMID17452318	BindingDB,ChEMBL
Inhibition	100.0 %	PMID17452318	ChEMBL
Kd	50.1 - 100.0 nM	PMID12522134, PMID12563315, PMID12646212	IUPHAR
Ki	50.0 nM	PMID18665582	BindingDB,ChEMBL
Ki	82.0 nM	PMID20184326	BindingDB,ChEMBL
Ki	104.0 nM	PMID20184326	BindingDB,ChEMBL
Ratio	0.8 -	PMID25737085	ChEMBL
Ratio IC50	0.0 -	PMID19309152	ChEMBL

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