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 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

NameCHEMBL289489
Molecular formulaC21H21N5O2
IUPAC nameN-[4-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]acetamide
Molecular weight375.432
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP2.4
SynonymsBDBM50406757
SCHEMBL8785172
Inchi KeyMPSISMSDHLPFGV-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H21N5O2/c1-13(27)24-17-5-2-14(3-6-17)10-20-25-21(28-26-20)15-4-7-19-18(11-15)16(8-9-22)12-23-19/h2-7,11-12,23H,8-10,22H2,1H3,(H,24,27)
PubChem CID9976750
ChEMBLCHEMBL289489
IUPHARN/A
BindingDB50406757
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
2113955-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
2113965-hydroxytryptamine receptor 1DP79400HTR1DSus scrofa (Pig)291
2113975-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417