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

NameAC1MVNDH
Molecular formulaC24H34N2O3
IUPAC name1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
Molecular weight398.547
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.4
Synonyms1-(4-isopropyl-3-methylphenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
MCULE-8940029815
AKOS001654253
Oprea1_054193
CHEMBL1362494
[ Show all ]
Inchi KeyAFKBSDYACHVHEH-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H34N2O3/c1-18(2)24-10-9-23(15-19(24)3)29-17-21(27)16-25-11-13-26(14-12-25)20-5-7-22(28-4)8-6-20/h5-10,15,18,21,27H,11-14,16-17H2,1-4H3
PubChem CID3685984
ChEMBLCHEMBL1362494
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
4233Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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