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

NameMLS003315736
Molecular formulaC25H28F3N7O2
IUPAC name3-[1-[(1-tert-butyltetrazol-5-yl)-[2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
Molecular weight515.541
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP4.3
SynonymsCHEMBL1877151
SMR001994871
Inchi KeyAFIXWJZXQFOSRN-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H28F3N7O2/c1-24(2,3)35-22(30-31-32-35)21(17-8-4-7-11-20(17)37-25(26,27)28)33-14-12-16(13-15-33)34-19-10-6-5-9-18(19)29-23(34)36/h4-11,16,21H,12-15H2,1-3H3,(H,29,36)
PubChem CID51360394
ChEMBLCHEMBL1877151
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4199Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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