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

NameCHEMBL3701903
Molecular formulaC21H24ClF3N2
IUPAC nameN-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-4-(2-piperidin-3-ylethyl)aniline
Molecular weight396.882
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP6.1
SynonymsSCHEMBL12609930
BDBM129362
US8802673, 4
Inchi KeyBEOYESMOQLVWGJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H24ClF3N2/c22-18-9-7-17(8-10-18)20(21(23,24)25)27-19-11-5-15(6-12-19)3-4-16-2-1-13-26-14-16/h5-12,16,20,26-27H,1-4,13-14H2
PubChem CID68325662
ChEMBLCHEMBL3701903
IUPHARN/A
BindingDB129362
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
21773Trace amine-associated receptor 1Q923Y8Taar1Mus musculus (Mouse)332
21772Trace amine-associated receptor 7bQ923X8Taar7bRattus norvegicus (Rat)358

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