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

NameCHEMBL3701902
Molecular formulaC20H22ClF3N2
IUPAC nameN-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-4-(2-pyrrolidin-3-ylethyl)aniline
Molecular weight382.855
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.8
SynonymsSCHEMBL12609679
BDBM129361
US8802673, 3
Inchi KeyCFMRPOMTQYDAMK-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H22ClF3N2/c21-17-7-5-16(6-8-17)19(20(22,23)24)26-18-9-3-14(4-10-18)1-2-15-11-12-25-13-15/h3-10,15,19,25-26H,1-2,11-13H2
PubChem CID68325464
ChEMBLCHEMBL3701902
IUPHARN/A
BindingDB129361
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
40777Trace amine-associated receptor 1Q923Y8Taar1Mus musculus (Mouse)332
40778Trace amine-associated receptor 7bQ923X8Taar7bRattus norvegicus (Rat)358

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