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

NameCHEMBL247267
Molecular formulaC23H33N3O2
IUPAC nameN,N-diethyl-3-[[8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl]oxy]propan-1-amine
Molecular weight383.536
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.6
SynonymsSCHEMBL4720916
BDBM50205652
N,N-diethyl-3-(8-(4-methoxyphenyl)-6-methyl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yloxy)propan-1-amine
Inchi KeyALZTYVXVRZIERJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H33N3O2/c1-5-26(6-2)12-7-13-28-23-14-19-16-25(3)17-22(21(19)15-24-23)18-8-10-20(27-4)11-9-18/h8-11,14-15,22H,5-7,12-13,16-17H2,1-4H3
PubChem CID15983840
ChEMBLCHEMBL247267
IUPHARN/A
BindingDB50205652
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
8690Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445

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