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

NameCHEMBL1788282
Molecular formulaC12H16N2O
IUPAC name(2S)-1-(6-methoxy-1H-indol-3-yl)propan-2-amine
Molecular weight204.273
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP2.2
SynonymsAC1LI6YU
1H-Indole-3-ethanamine, 6-methoxy-alpha-methyl-, (S)- (9CI)
BDBM50227459
114127-45-6
(2S)-1-(6-methoxy-1H-indol-3-yl)propan-2-amine
Inchi KeyCMYKARMYSPCRCF-QMMMGPOBSA-N
Inchi IDInChI=1S/C12H16N2O/c1-8(13)5-9-7-14-12-6-10(15-2)3-4-11(9)12/h3-4,6-8,14H,5,13H2,1-2H3/t8-/m0/s1
PubChem CID899056
ChEMBLCHEMBL1788282
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
458355-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386

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