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

NameCHEMBL27545
Molecular formulaC26H34N2O3
IUPAC name(4-methylpiperidin-1-yl)-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]methanone
Molecular weight422.569
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.3
SynonymsBDBM50222966
Inchi KeyAMLBLZKKHJTHSR-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H34N2O3/c1-21-11-14-28(15-12-21)26(29)24-5-3-22(4-6-24)23-7-9-25(10-8-23)31-18-2-13-27-16-19-30-20-17-27/h3-10,21H,2,11-20H2,1H3
PubChem CID44275830
ChEMBLCHEMBL27545
IUPHARN/A
BindingDB50222966
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
9012Histamine H3 receptorQ9QYN8Hrh3Rattus norvegicus (Rat)445
9013Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445

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