Zhang Lab

University of Michigan

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 ●DMFold ●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	CHEMBL2381673
Molecular formula	C23H30N4O3
IUPAC name	N-cycloheptyl-2-(furan-2-yl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
Molecular weight	410.518
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.8
Synonyms	N/A
Inchi Key	BOQLWDKHJXEOTP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H30N4O3/c1-2-3-8-13-26-16-18(22(28)24-17-10-6-4-5-7-11-17)23(29)27-21(26)15-19(25-27)20-12-9-14-30-20/h9,12,14-17H,2-8,10-11,13H2,1H3,(H,24,28)
PubChem CID	71681349
ChEMBL	CHEMBL2381673
IUPHAR	N/A
BindingDB	N/A
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
29031	Cannabinoid receptor 1	P21554	CNR1	Homo sapiens (Human)	472
29032	Cannabinoid receptor 1	P20272	Cnr1	Rattus norvegicus (Rat)	473
29030	Cannabinoid receptor 2	P34972	CNR2	Homo sapiens (Human)	360
29033	Cannabinoid receptor 2	Q9QZN9	Cnr2	Rattus norvegicus (Rat)	360

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218