Home Research COVID-19 Services Publications People Teaching Job Opening 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 EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN 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 FASPR

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

NameCHEMBL290171
Molecular formulaC19H18N4O
IUPAC name2-[5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine
Molecular weight318.38
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.2
Synonyms5-[(3-Phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indole-3-(ethanamine)
BDBM50406775
SCHEMBL8785272
Inchi KeyDUCJXOYLGYOOQB-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H18N4O/c20-9-8-15-12-21-17-7-6-13(10-16(15)17)11-18-22-19(23-24-18)14-4-2-1-3-5-14/h1-7,10,12,21H,8-9,11,20H2
PubChem CID9996008
ChEMBLCHEMBL290171
IUPHARN/A
BindingDB50406775
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
688785-hydroxytryptamine receptor 1DP79400HTR1DSus scrofa (Pig)291

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