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

NameCHEMBL103465
Molecular formulaC27H31N3O2
IUPAC name1-[4-[2-hydroxy-1-(2-methylpyridin-3-yl)ethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
Molecular weight429.564
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.1
SynonymsBDBM50045974
1-{4-[2-Hydroxy-1-(2-methyl-pyridin-3-yl)-ethyl]-piperazin-1-yl}-3,3-diphenyl-propan-1-one
Inchi KeyKBEAGBIQEIUGAW-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H31N3O2/c1-21-24(13-8-14-28-21)26(20-31)29-15-17-30(18-16-29)27(32)19-25(22-9-4-2-5-10-22)23-11-6-3-7-12-23/h2-14,25-26,31H,15-20H2,1H3
PubChem CID10002744
ChEMBLCHEMBL103465
IUPHARN/A
BindingDB50045974
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
164958Platelet-activating factor receptorP21556PTAFRCavia porcellus (Guinea pig)342
164959Platelet-activating factor receptorQ62035PtafrMus musculus (Mouse)341

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