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

NameCHEMBL103619
Molecular formulaC25H27N5O3
IUPAC name2-[4-[3-(2,5-dioxopyrrolidin-1-yl)-3-phenylpropanoyl]piperazin-1-yl]-2-(2-methylpyridin-3-yl)acetonitrile
Molecular weight445.523
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP0.7
SynonymsSCHEMBL9575310
[4-[3-Phenyl-1-oxo-3-(2,5-dioxopyrrolidin-1-yl)propyl]piperazin-1-yl](2-methyl-3-pyridyl)acetonitrile
Inchi KeyKSOJRNIWBLEKEZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H27N5O3/c1-18-20(8-5-11-27-18)22(17-26)28-12-14-29(15-13-28)25(33)16-21(19-6-3-2-4-7-19)30-23(31)9-10-24(30)32/h2-8,11,21-22H,9-10,12-16H2,1H3
PubChem CID10252942
ChEMBLCHEMBL103619
IUPHARN/A
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
177217Platelet-activating factor receptorP46002PtafrRattus norvegicus (Rat)341
177218Platelet-activating factor receptorQ62035PtafrMus musculus (Mouse)341

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