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

NameCHEMBL103561
Molecular formulaC28H31N5O
IUPAC name2-[4-[2-(1,1-diphenylethylamino)acetyl]piperazin-1-yl]-2-(2-methylpyridin-3-yl)acetonitrile
Molecular weight453.59
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.3
Synonyms{4-[2-(1,1-Diphenyl-ethylamino)-acetyl]-piperazin-1-yl}-(2-methyl-pyridin-3-yl)-acetonitrile
BDBM50045997
SCHEMBL9575072
Inchi KeyBSMSADGDBGATQD-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H31N5O/c1-22-25(14-9-15-30-22)26(20-29)32-16-18-33(19-17-32)27(34)21-31-28(2,23-10-5-3-6-11-23)24-12-7-4-8-13-24/h3-15,26,31H,16-19,21H2,1-2H3
PubChem CID10095446
ChEMBLCHEMBL103561
IUPHARN/A
BindingDB50045997
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
31795Platelet-activating factor receptorP21556PTAFRCavia porcellus (Guinea pig)342
31796Platelet-activating factor receptorP46002PtafrRattus norvegicus (Rat)341
31797Platelet-activating factor receptorQ62035PtafrMus musculus (Mouse)341

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