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

NameCHEMBL3112979
Molecular formulaC28H25ClN4O4S
IUPAC name5-[2-[[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]oxy]-6-cyclopropylpyridin-4-yl]-3-cyclopropyl-1,2,4-oxadiazole
Molecular weight549.042
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP5.5
SynonymsBDBM50447719
Inchi KeyBMBHHJOJERDYIV-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H25ClN4O4S/c29-21-8-11-23(12-9-21)38(34,35)33-13-1-2-18-7-10-22(16-25(18)33)36-26-15-20(14-24(30-26)17-3-4-17)28-31-27(32-37-28)19-5-6-19/h7-12,14-17,19H,1-6,13H2
PubChem CID76332169
ChEMBLCHEMBL3112979
IUPHARN/A
BindingDB50447719
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
27274Glucose-dependent insulinotropic receptorQ8TDV5GPR119Homo sapiens (Human)335

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