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	Cannabinoid receptor 2
Species	Mus musculus (Mouse)
Gene	Cnr2
Synonym	Peripheral cannabinoid receptor mCB2 CB2-R CB2 receptor CB2 CB-2 cannabinoid receptor 2 (spleen) cannabinoid receptor 2 (macrophage) rCB2 [ Show all ]
Disease	N/A for non-human GPCRs
Length	347
Amino acid sequence	MEGCRETEVTNGSNGGLEFNPMKEYMILSSGQQIAVAVLCTLMGLLSALENMAVLYIILSSRRLRRKPSYLFISSLAGADFLASVIFACNFVIFHVFHGVDSNAIFLLKIGSVTMTFTASVGSLLLTAVDRYLCLCYPPTYKALVTRGRALVALCVMWVLSALISYLPLMGWTCCPSPCSELFPLIPNDYLLGWLLFIAILFSGIIYTYGYVLWKAHRHVATLAEHQDRQVPGIARMRLDVRLAKTLGLVLAVLLICWFPALALMGHSLVTTLSDQVKEAFAFCSMLCLVNSMVNPIIYALRSGEIRSAAQHCLIGWKKYLQGLGPEGKEEGPRSSVTETEADVKTT
UniProt	P47936
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL5373
IUPHAR	57
DrugBank	N/A

Ligand

Name	CHEMBL386489
Molecular formula	C22H22FN3O2
IUPAC name	N-cyclohexyl-1-[(4-fluorophenyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide
Molecular weight	379.435
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.9
Synonyms	BDBM50195529 N-cyclohexyl-1-(p-fluorbenzyl)-1,8-naphthyridin-4(1H)-on-3-carboxamide
Inchi Key	DTANHKNKNMZFOK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H22FN3O2/c23-16-10-8-15(9-11-16)13-26-14-19(20(27)18-7-4-12-24-21(18)26)22(28)25-17-5-2-1-3-6-17/h4,7-12,14,17H,1-3,5-6,13H2,(H,25,28)
PubChem CID	16086903
ChEMBL	CHEMBL386489
IUPHAR	N/A
BindingDB	50195529
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	13.0 nM	PMID17004710	BindingDB,ChEMBL

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