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

NameMLS002174398
Molecular formulaC27H26ClNO4S
IUPAC name(2S,6S)-6-(4-chlorophenyl)-2-(4-ethylphenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
Molecular weight496.018
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP6.0
SynonymsCHEMBL1359270
SMR001261564
Inchi KeyACJOQJGTZBPCMX-UIOOFZCWSA-N
Inchi IDInChI=1S/C27H26ClNO4S/c1-3-19-6-8-20(9-7-19)25-17-16-24(27(30)31)26(21-10-12-22(28)13-11-21)29(25)34(32,33)23-14-4-18(2)5-15-23/h4-16,25-26H,3,17H2,1-2H3,(H,30,31)/t25-,26-/m0/s1
PubChem CID25102629
ChEMBLCHEMBL1359270
IUPHARN/A
BindingDBN/A
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1639Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
463150Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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