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

NameCHEMBL349824
Molecular formulaC16H21NO2
IUPAC name10-methoxy-4-propyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridine
Molecular weight259.349
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP2.8
SynonymsBDBM50016895
5-Methoxy-1-propyl-2,3,10,10a-tetrahydro-1H-9-oxa-1-aza-phenanthrene
Inchi KeyDUCWFBXYQNVRNF-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H21NO2/c1-3-9-17-10-5-6-12-13(17)11-19-15-8-4-7-14(18-2)16(12)15/h4,6-8,13H,3,5,9-11H2,1-2H3
PubChem CID14450355
ChEMBLCHEMBL349824
IUPHARN/A
BindingDB50016895
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
689035-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
689015-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
68902Alpha-2A adrenergic receptorQ28838ADRA2ABos taurus (Bovine)452

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