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:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	6-METHYL-1,4,5,6-TETRAHYDROCYCLOPENTAPYRAZOLE-3-CARBOXYLIC ACID
Molecular formula	C8H10N2O2
IUPAC name	6-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid
Molecular weight	166.18
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	1.1
Synonyms	DB-076381 856256-49-0 AS-39576 SCHEMBL1149625 CHEMBL394688 6-METHYL-1H,4H,5H,6H-CYCLOPENTA[C]PYRAZOLE-3-CARBOXYLIC ACID AKOS006314520 FT-0730732 BDBM50216525 TR-038956 CTK6C0726 6-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid AM804420 NFQIURPKSWTDGP-UHFFFAOYSA-N 6-Methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic Acid [ Show all ]
Inchi Key	NFQIURPKSWTDGP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C8H10N2O2/c1-4-2-3-5-6(4)9-10-7(5)8(11)12/h4H,2-3H2,1H3,(H,9,10)(H,11,12)
PubChem CID	11845295
ChEMBL	CHEMBL394688
IUPHAR	N/A
BindingDB	50216525
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
222186	Hydroxycarboxylic acid receptor 2	Q9EP66	Hcar2	Mus musculus (Mouse)	360
222187	Hydroxycarboxylic acid receptor 2	Q8TDS4	HCAR2	Homo sapiens (Human)	363

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