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

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
SynonymsBDBM50205652
N,N-diethyl-3-(8-(4-methoxyphenyl)-6-methyl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yloxy)propan-1-amine
SCHEMBL4720916
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

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