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

NameCHEMBL2375588
Molecular formulaC21H33NO2
IUPAC name4-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]cyclohexan-1-ol
Molecular weight331.5
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.2
SynonymsBDBM50433198
Inchi KeyHKFWOTJVDCMHST-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H33NO2/c23-20-9-5-18(6-10-20)17-19-7-11-21(12-8-19)24-16-4-15-22-13-2-1-3-14-22/h7-8,11-12,18,20,23H,1-6,9-10,13-17H2
PubChem CID71601844
ChEMBLCHEMBL2375588
IUPHARN/A
BindingDB50433198
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
117169Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445
117170Histamine H3 receptorP58406Hrh3Mus musculus (Mouse)445

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