Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-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 ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

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
US8802673, 3
BDBM129361
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

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417