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	CHEMBL2381674
Molecular formula	C26H32N4O3
IUPAC name	N-(1-adamantyl)-2-(furan-2-yl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
Molecular weight	448.567
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	5.2
Synonyms	N-(Adamantane-1-yl)-2-(2-furanyl)-4,7-dihydro-4-pentyl-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide
Inchi Key	HBXGMYPLVUUOLH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H32N4O3/c1-2-3-4-7-29-16-20(25(32)30-23(29)12-21(28-30)22-6-5-8-33-22)24(31)27-26-13-17-9-18(14-26)11-19(10-17)15-26/h5-6,8,12,16-19H,2-4,7,9-11,13-15H2,1H3,(H,27,31)
PubChem CID	71681350
ChEMBL	CHEMBL2381674
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

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
110989	Cannabinoid receptor 1	P20272	Cnr1	Rattus norvegicus (Rat)	473
110992	Cannabinoid receptor 1	P21554	CNR1	Homo sapiens (Human)	472
110990	Cannabinoid receptor 2	Q9QZN9	Cnr2	Rattus norvegicus (Rat)	360
110991	Cannabinoid receptor 2	P34972	CNR2	Homo sapiens (Human)	360

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