Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX 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 NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL3753132
Molecular formulaC17H17BrN2
IUPAC name1-(3-bromophenyl)-N-(1H-indol-2-ylmethyl)ethanamine
Molecular weight329.241
Hydrogen bond acceptor1
Hydrogen bond donor2
XlogP4.0
SynonymsN/A
Inchi KeyAUQRZJZYAHXGGL-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H17BrN2/c1-12(13-6-4-7-15(18)9-13)19-11-16-10-14-5-2-3-8-17(14)20-16/h2-10,12,19-20H,11H2,1H3
PubChem CID57385594
ChEMBLCHEMBL3753132
IUPHARN/A
BindingDBN/A
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
521892Extracellular calcium-sensing receptorP48442CasrRattus norvegicus (Rat)1079

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