Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL3113839
Molecular formulaC23H29N3O5S
IUPAC namepropan-2-yl 4-[2-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyridin-4-yl]oxypiperidine-1-carboxylate
Molecular weight459.561
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.4
SynonymsBDBM50446697
SCHEMBL1067714
Inchi KeyAGAYTMFQRZZPGY-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H29N3O5S/c1-16(2)30-23(27)25-11-8-18(9-12-25)31-19-6-10-24-22(15-19)26-13-7-17-14-20(32(3,28)29)4-5-21(17)26/h4-6,10,14-16,18H,7-9,11-13H2,1-3H3
PubChem CID58116587
ChEMBLCHEMBL3113839
IUPHARN/A
BindingDB50446697
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4714Glucose-dependent insulinotropic receptorQ8TDV5GPR119Homo sapiens (Human)335

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