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

NamePAPP
Molecular formulaC19H22F3N3
IUPAC name4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]aniline
Molecular weight349.401
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.0
Synonyms4-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)aniline
Biomol-NT_000160
CTK8D5097
J-011585
LY-165,163, solid
[ Show all ]
Inchi KeyGAAKALASJNGQKD-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H22F3N3/c20-19(21,22)16-2-1-3-18(14-16)25-12-10-24(11-13-25)9-8-15-4-6-17(23)7-5-15/h1-7,14H,8-13,23H2
PubChem CID121930
ChEMBLCHEMBL1256693
IUPHAR18
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5537125-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
5537135-hydroxytryptamine receptor 6P31388Htr6Rattus norvegicus (Rat)436
91404D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
91400Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
91399Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
91402Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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