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	CHEMBL385057
Molecular formula	C23H28FN3O2
IUPAC name	N-cyclohexyl-1-[(2-fluorophenyl)methyl]-4-hydroxy-7-methyl-3,4-dihydro-2H-1,8-naphthyridine-3-carboxamide
Molecular weight	397.494
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	3.9
Synonyms	N-cyclohexyl-1-(o-fluorbenzyl)-4-hydroxy-7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridin-3-carboxamide BDBM50195510
Inchi Key	FXSJUTZQWVZGTH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H28FN3O2/c1-15-11-12-18-21(28)19(23(29)26-17-8-3-2-4-9-17)14-27(22(18)25-15)13-16-7-5-6-10-20(16)24/h5-7,10-12,17,19,21,28H,2-4,8-9,13-14H2,1H3,(H,26,29)
PubChem CID	16086884
ChEMBL	CHEMBL385057
IUPHAR	N/A
BindingDB	50195510
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
89885	Cannabinoid receptor 1	P47746	Cnr1	Mus musculus (Mouse)	473
89886	Cannabinoid receptor 2	P47936	Cnr2	Mus musculus (Mouse)	347

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