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

NameCHEMBL299213
Molecular formulaC16H22N6
IUPAC name2-[5-[(2-ethyltetrazol-5-yl)methyl]-1H-indol-3-yl]-N,N-dimethylethanamine
Molecular weight298.394
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.8
SynonymsBDBM50407354
N,N-Dimethyl-5-[(2-ethyl-2H-tetrazol-5-yl)methyl]-1H-indole-3-(ethanamine)
SCHEMBL8784514
Inchi KeyIIYLGSKFTYDEID-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H22N6/c1-4-22-19-16(18-20-22)10-12-5-6-15-14(9-12)13(11-17-15)7-8-21(2)3/h5-6,9,11,17H,4,7-8,10H2,1-3H3
PubChem CID10063283
ChEMBLCHEMBL299213
IUPHARN/A
BindingDB50407354
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1343395-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
1343365-hydroxytryptamine receptor 1DP79400HTR1DSus scrofa (Pig)291
1343385-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
1343375-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458

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