Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX SSIPe ResQ IonCom STRUM DAMpred

TM-score TM-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 WDL-RF ATPbind DockRMSD DeepMSA

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL163167
Molecular formulaC13H15NO2
IUPAC name4-methyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridin-9-ol
Molecular weight217.268
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP1.6
SynonymsBDBM50228061
Inchi KeyBGBULBPIVTWFIU-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H15NO2/c1-14-6-2-3-10-11-7-9(15)4-5-13(11)16-8-12(10)14/h3-5,7,12,15H,2,6,8H2,1H3
PubChem CID14151698
ChEMBLCHEMBL163167
IUPHARN/A
BindingDBN/A
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
228325-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
228315-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
22833Alpha-2A adrenergic receptorQ28838ADRA2ABos taurus (Bovine)452

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