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 DMFold 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

NameCHEMBL3262885
Molecular formulaC22H21F3N2O3
IUPAC name(E)-3-(4-methoxyphenyl)-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]prop-2-en-1-one
Molecular weight418.416
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.6
SynonymsBDBM50011727
(E)-3-(4-methoxyphenyl)-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]prop-2-en-1-one
Inchi KeyIJDOLSDVADCVOO-NYYWCZLTSA-N
Inchi IDInChI=1S/C22H21F3N2O3/c1-30-19-9-2-16(3-10-19)4-11-20(28)26-12-14-27(15-13-26)21(29)17-5-7-18(8-6-17)22(23,24)25/h2-11H,12-15H2,1H3/b11-4+
PubChem CID86579941
ChEMBLCHEMBL3262885
IUPHARN/A
BindingDB50011727
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
134451G-protein coupled receptor 183P32249GPR183Homo sapiens (Human)361
134452G-protein coupled receptor 183Q3U6B2Gpr183Mus musculus (Mouse)357

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