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

NameCHEMBL498470
Molecular formulaC21H17ClFN3O
IUPAC name3-(2-chloro-4-fluorophenyl)-5-(4-quinolin-6-ylbutyl)-1,2,4-oxadiazole
Molecular weight381.835
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP5.9
Synonyms3-(4-(3-(2-Chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl)butyl)quinoline
BDBM50272430
Inchi KeyFSUSWHJMGXMKBV-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H17ClFN3O/c22-18-13-16(23)8-9-17(18)21-25-20(27-26-21)6-2-1-4-14-7-10-19-15(12-14)5-3-11-24-19/h3,5,7-13H,1-2,4,6H2
PubChem CID44587055
ChEMBLCHEMBL498470
IUPHARN/A
BindingDB50272430
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
86425Cannabinoid receptor 1P20272Cnr1Rattus norvegicus (Rat)473
86426Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
86423Cannabinoid receptor 2Q9QZN9Cnr2Rattus norvegicus (Rat)360
86424Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360

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