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

NameCHEMBL499050
Molecular formulaC19H12Cl2FN5O2
IUPAC name3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(6-chloro-1,8-naphthyridin-3-yl)propanamide
Molecular weight432.236
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.8
SynonymsBDBM50272276
N-(6-Chloro-1,8-naphthyridin-3-yl)-3-(3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl)propanamide
Inchi KeyGUXZMJXQQKUUOL-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H12Cl2FN5O2/c20-11-5-10-6-13(9-24-18(10)23-8-11)25-16(28)3-4-17-26-19(27-29-17)14-2-1-12(22)7-15(14)21/h1-2,5-9H,3-4H2,(H,25,28)
PubChem CID25034140
ChEMBLCHEMBL499050
IUPHARN/A
BindingDB50272276
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
106030Cannabinoid receptor 1P20272Cnr1Rattus norvegicus (Rat)473
106031Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
106028Cannabinoid receptor 2Q9QZN9Cnr2Rattus norvegicus (Rat)360
106029Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360

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