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

You can:

Ligand

NameCHEMBL385508
Molecular formulaC21H28N4O3
IUPAC nameN-cyclopentyl-7-methyl-1-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxamide
Molecular weight384.48
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP1.2
SynonymsBDBM50195526
N-cyclopentyl-7-methyl-1-(2-morpholin-4-ylethyl)-1,8-naphthyridin-4(1H)-on-3-carboxamide
Inchi KeyBNHUMMLUSHLSRT-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H28N4O3/c1-15-6-7-17-19(26)18(21(27)23-16-4-2-3-5-16)14-25(20(17)22-15)9-8-24-10-12-28-13-11-24/h6-7,14,16H,2-5,8-13H2,1H3,(H,23,27)
PubChem CID10091426
ChEMBLCHEMBL385508
IUPHARN/A
BindingDB50195526
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
28132Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
28134Cannabinoid receptor 1P47746Cnr1Mus musculus (Mouse)473
28131Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360
28133Cannabinoid receptor 2P47936Cnr2Mus musculus (Mouse)347

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