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

NameCHEMBL511850
Molecular formulaC23H30N2O
IUPAC name4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine
Molecular weight350.506
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.7
SynonymsBDBM50412462
Inchi KeyCLHOFEGUPHQCTG-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H30N2O/c1-2-12-24(13-3-1)18-20-4-8-22(9-5-20)23-10-6-21(7-11-23)19-25-14-16-26-17-15-25/h4-11H,1-3,12-19H2
PubChem CID44588214
ChEMBLCHEMBL511850
IUPHARN/A
BindingDB50412462
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
44728Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445
44729Histamine H3 receptorQ9QYN8Hrh3Rattus norvegicus (Rat)445
44730Histamine H3 receptorQ9JI35HRH3Cavia porcellus (Guinea pig)445

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