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

Name4-({[(4-methoxyphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
Molecular formulaC21H27N3O4S
IUPAC name4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
Molecular weight417.524
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.0
SynonymsAC1NT3S4
MCULE-2163443682
STK856664
1212144-71-2
AKOS005631989
[ Show all ]
Inchi KeyAHHBGWIEDYSIAD-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H27N3O4S/c1-28-19-8-10-20(11-9-19)29(26,27)24-15-16-4-6-18(7-5-16)21(25)23-14-17-3-2-12-22-13-17/h2-3,8-13,16,18,24H,4-7,14-15H2,1H3,(H,23,25)
PubChem CID5323482
ChEMBLCHEMBL1442081
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
5537Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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