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

NameCHEMBL434974
Molecular formulaC18H16N4O
IUPAC name2-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine
Molecular weight304.353
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.9
SynonymsSCHEMBL8785912
BDBM50406781
5-(3-Phenyl-1,2,4-oxadiazol-5-yl)-1H-indole-3-(ethanamine)
Inchi KeyFDPKHZFSVDEEFR-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H16N4O/c19-9-8-14-11-20-16-7-6-13(10-15(14)16)18-21-17(22-23-18)12-4-2-1-3-5-12/h1-7,10-11,20H,8-9,19H2
PubChem CID10425140
ChEMBLCHEMBL434974
IUPHARN/A
BindingDB50406781
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
757855-hydroxytryptamine receptor 1DP79400HTR1DSus scrofa (Pig)291

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