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

NameCHEMBL53467
Molecular formulaC14H18N6
IUPAC nameN,N-dimethyl-2-[5-(tetrazol-2-ylmethyl)-1H-indol-3-yl]ethanamine
Molecular weight270.34
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP1.8
SynonymsSCHEMBL8783747
CCDMZRADLKWXMG-UHFFFAOYSA-N
BDBM50407359
N,N-Dimethyl-5-(2H-tetrazol-2-ylmethyl)-1H-indole-3-(ethanamine)
N,N-Dimethyl-2-[5-(1,2,3,4-tetrazol-2-ylmethyl)-1H-indol-3-yl]ethylamine
Inchi KeyCCDMZRADLKWXMG-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H18N6/c1-19(2)6-5-12-8-15-14-4-3-11(7-13(12)14)9-20-17-10-16-18-20/h3-4,7-8,10,15H,5-6,9H2,1-2H3
PubChem CID10355779
ChEMBLCHEMBL53467
IUPHARN/A
BindingDB50407359
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
384795-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
384805-hydroxytryptamine receptor 1DP79400HTR1DSus scrofa (Pig)291
384775-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
384785-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458

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