Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

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	3-Hydroxybenzoic acid
Molecular formula	C7H6O3
IUPAC name	3-hydroxybenzoic acid
Molecular weight	138.122
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	1.5
Synonyms	3-hydroxy benzoate metahydroxybenzoic acid 3-Hydroxybenzoic acid, analytical standard PS-5406 713EC407-4844-477D-8207-DBD66E398D2C ST51038596 Acido m-idrossibenzoico ZINC388754 AN-891 bmse000324 DB-028515 FT-0600874 KB-32187 m-hydroxybenzoate 3-Hydroxybenzoate NCGC00248676-01 3-hydroxybenzoic aicd RTC-020129 AB0007855 Tox21_200527 AE-562/40227537 BC676293 CAS-99-06-9 DSSTox_RID_76235 I01-1318 KSC349K8N m-Salicylic acid meta-Hydroxybenzoic acid NSC-55746 3pcb SCHEMBL40078 AC1Q5TRT UNII-I3P9R8317T component IJFXRHURBJZNAO-UHFFFAOYSA-N AK-50288 Benzoic acid, 3-hydroxy-, ion(1-) CHEMBL65369 Enamine_005356 InChI=1/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10 LS-37524 2ZFW40OJ7U 3-Hydroxy benzoic acid MFCD00002506 3-Hydroxybenzoic acid, ReagentPlus(R), 99% PubChem9161 7720-19-6 (mono-hydrochloride salt) STL163473 Acido m-idrossibenzoico [Italian] ANW-13671 BRN 0508160 DSSTox_CID_1610 H60032 KM3494 M-HYDROXYBENZOIC ACID MCULE-3607182166 3-Hydroxybenzoate, II NCGC00258081-01 3-hydroxybenzoic-acid SBB058844 AB1002109 TRA0044037 AI3-03110 BDBM50336491 CHEBI:30764 DTXSID6021610 I01-5234 Kyselina 3-hydroxybenzoova 10476-50-3 meta-salicylic acid 3-Hydroxybenzoic acid, 99% NSC55746 ST2410732 AC1Q7331 W-100054 AKOS000118958 Benzoic acid, m-hydroxy- CS-W004049 F9995-1635 KB-236275 m-Hba 3-Carboxyphenol 3-hydroxy-benzoic acid MolPort-000-004-309 3-Hydroxybenzoic acid, Vetec(TM) reagent grade, 98% RP20405 99-06-9 TC-020129 ACMC-209795 BBL011983 C00587 DSSTox_GSID_21610 HMS1409D10 KS-000000YX m-salicylate meta-hydroxybenzoate 3-hydroxybenzoes NSC 55746 3HB SC-07532 AC1L1OQ1 UNII-2ZFW40OJ7U AJ-20761 Benzoic acid, 3-hydroxy- EINECS 202-726-5 IJFXRHURBJZNAO-UHFFFAOYSA-N Kyselina 3-hydroxybenzoova [Czech] 1112945-78-4 [ Show all ]
Inchi Key	IJFXRHURBJZNAO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)
PubChem CID	7420
ChEMBL	CHEMBL65369
IUPHAR	N/A
BindingDB	50336491
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	215000.0 nM	PMID24900524	BindingDB,ChEMBL

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417