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

NameCHEMBL3884899
Molecular formulaC24H33NO3
IUPAC nameN-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-4-phenylbutanamide
Molecular weight383.532
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.8
SynonymsBDBM50209617
Inchi KeyAMNGROWXMQOIIG-BVHINDKJSA-N
Inchi IDInChI=1S/C24H33NO3/c1-3-8-19(2)18-28-22-15-13-21(14-16-22)23(17-26)25-24(27)12-7-11-20-9-5-4-6-10-20/h4-6,9-10,13-16,19,23,26H,3,7-8,11-12,17-18H2,1-2H3,(H,25,27)/t19?,23-/m0/s1
PubChem CID134131592
ChEMBLCHEMBL3884899
IUPHARN/A
BindingDB50209617
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
547984Probable G-protein coupled receptor 88Q9GZN0GPR88Homo sapiens (Human)384

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