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

NameCHEMBL131690
Molecular formulaC25H27N3O
IUPAC name3,3-diphenyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
Molecular weight385.511
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.3
Synonyms3,3-Diphenyl-1-(4-pyridin-3-ylmethyl-piperazin-1-yl)-propan-1-one; hydrate
BDBM50003488
1-[4-(3-Pyridinylmethyl)-1-piperazinyl]-3,3-diphenyl-1-propanone
AKOS028884920
Inchi KeyGJDOBZATTIEGBR-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H27N3O/c29-25(28-16-14-27(15-17-28)20-21-8-7-13-26-19-21)18-24(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-13,19,24H,14-18,20H2
PubChem CID10045642
ChEMBLCHEMBL131690
IUPHARN/A
BindingDB50003488
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
97815Platelet-activating factor receptorP21556PTAFRCavia porcellus (Guinea pig)342
97816Platelet-activating factor receptorP46002PtafrRattus norvegicus (Rat)341
97817Platelet-activating factor receptorQ62035PtafrMus musculus (Mouse)341

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