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

You can:

Ligand

NameCHEMBL217549
Molecular formulaC24H26FN3O2
IUPAC name1-[(2-fluorophenyl)methyl]-7-methyl-N-(4-methylcyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxamide
Molecular weight407.489
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.5
SynonymsBDBM50195511
N-(4''-methylcyclohexyl)-1-(o-fluorobenzyl)-7-methyl-1,8-naphthyridin-4(1H)-on-3-carboxamide
Inchi KeyCSWGVXSESQPWML-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H26FN3O2/c1-15-7-10-18(11-8-15)27-24(30)20-14-28(13-17-5-3-4-6-21(17)25)23-19(22(20)29)12-9-16(2)26-23/h3-6,9,12,14-15,18H,7-8,10-11,13H2,1-2H3,(H,27,30)
PubChem CID16086898
ChEMBLCHEMBL217549
IUPHARN/A
BindingDB50195511
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
49815Cannabinoid receptor 1P47746Cnr1Mus musculus (Mouse)473
49816Cannabinoid receptor 2P47936Cnr2Mus musculus (Mouse)347

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