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 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

NameMLS001008228
Molecular formulaC24H33NO3
IUPAC name[5-[[3-benzyl-3-(hydroxymethyl)piperidin-1-yl]methyl]-2-propan-2-yloxyphenyl]methanol
Molecular weight383.532
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.5
SynonymsSR-01000163877
CHEMBL1485464
MolPort-005-006-639
SR-01000163877-1
HMS2814M03
[ Show all ]
Inchi KeyAFTCPNXDOWZFCA-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H33NO3/c1-19(2)28-23-10-9-21(13-22(23)16-26)15-25-12-6-11-24(17-25,18-27)14-20-7-4-3-5-8-20/h3-5,7-10,13,19,26-27H,6,11-12,14-18H2,1-2H3
PubChem CID23723804
ChEMBLCHEMBL1485464
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
4450Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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