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	MK 1903
Molecular formula	C8H8N2O2
IUPAC name	(2R,4R)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylic acid
Molecular weight	164.164
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	0.6
Synonyms	(1aR,5aR)-1a,2,5,5a-tetrahydro-1H-2,3-diazacyclopropa[a]pentalene-4-carboxylic Acid AKOS024458259 MolPort-035-765-775 SCHEMBL4481866 (4aR,5aR)-4,4a,5,5a-Tetrahydro-1H-cyclopropa[4,5]cyclopenta[1,2]pyrazole-3-carboxylic acid CHEMBL2057618 (1aR,5aR)-1a,3,5,5a-Tetrahydro-1H-2,3-diaza-cyclopropa[a]pentalene-4-carboxylic acid BDBM50388230 NCGC00379170-01 UNII-62N05GRI0P 1268882-43-4 CUTZNERBKDMLAP-QWWZWVQMSA-N (1aR, 5aR)-1a,3,5,5a-Tetrahydro-1H-2,3-diaza-cyclopropa[a]pentalene-4-carboxylic acid 62N05GRI0P mk-1903 (4aR,5aR)-4,4a,5,5a-Tetrahydro-1H-cyclopropa(4,5)cyclopenta(1,2-C)pyrazole-3-carboxylic acid SCHEMBL11972373 ZINC35923551 1H-Cyclopropa(4,5)cyclopenta(1,2-C)pyrazole-3-carboxylic acid, 4,4a,5,5a-tetrahydro-, (4aR,5aR)- KB-274625 [ Show all ]
Inchi Key	CUTZNERBKDMLAP-QWWZWVQMSA-N
Inchi ID	InChI=1S/C8H8N2O2/c11-8(12)7-5-2-3-1-4(3)6(5)9-10-7/h3-4H,1-2H2,(H,9,10)(H,11,12)/t3-,4-/m1/s1
PubChem CID	49763030
ChEMBL	CHEMBL2057618
IUPHAR	N/A
BindingDB	50388230
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	12.9 nM	PMID22435740	BindingDB,ChEMBL
Efficacy	102.0 %	PMID22435740	ChEMBL

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