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

NameCHEMBL3753832
Molecular formulaC18H20N2
IUPAC name(1R)-N-(1H-indol-2-ylmethyl)-1-(4-methylphenyl)ethanamine
Molecular weight264.372
Hydrogen bond acceptor1
Hydrogen bond donor2
XlogP3.7
SynonymsSCHEMBL10039786
Inchi KeyRXMOFAJOCZTOOI-CQSZACIVSA-N
Inchi IDInChI=1S/C18H20N2/c1-13-7-9-15(10-8-13)14(2)19-12-17-11-16-5-3-4-6-18(16)20-17/h3-11,14,19-20H,12H2,1-2H3/t14-/m1/s1
PubChem CID57385845
ChEMBLCHEMBL3753832
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
530181Extracellular calcium-sensing receptorP48442CasrRattus norvegicus (Rat)1079

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