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