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

NameMLS003116585
Molecular formulaC22H26N4O2S
IUPAC name(2R,4R,5R)-5-(4-cyclopropyltriazol-1-yl)-2-(4-methoxyphenyl)-1-(thiophen-2-ylmethyl)piperidin-4-ol
Molecular weight410.536
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.5
SynonymsCHEMBL2143903
KUC105109
KUC105109N
NCGC00243096-01
SMR001832138
Inchi KeyAFXKNDHWOJNFSQ-YPAWHYETSA-N
Inchi IDInChI=1S/C22H26N4O2S/c1-28-17-8-6-16(7-9-17)20-11-22(27)21(14-25(20)12-18-3-2-10-29-18)26-13-19(23-24-26)15-4-5-15/h2-3,6-10,13,15,20-22,27H,4-5,11-12,14H2,1H3/t20-,21-,22-/m1/s1
PubChem CID46902622
ChEMBLCHEMBL2143903
IUPHARN/A
BindingDBN/A
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
4590Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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