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

NameCHEMBL3262407
Molecular formulaC20H27N3O
IUPAC name3-[methyl-[3-(4-phenylpiperazin-1-yl)propyl]amino]phenol
Molecular weight325.456
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.7
SynonymsBDBM50015027
Inchi KeyDJAHTVFQLSUHKT-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H27N3O/c1-21(19-9-5-10-20(24)17-19)11-6-12-22-13-15-23(16-14-22)18-7-3-2-4-8-18/h2-5,7-10,17,24H,6,11-16H2,1H3
PubChem CID90656685
ChEMBLCHEMBL3262407
IUPHARN/A
BindingDB50015027
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 10
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
612635-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
612695-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
612725-hydroxytryptamine receptor 1DP28565Htr1dRattus norvegicus (Rat)374
612715-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
612655-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
612675-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
612665-hydroxytryptamine receptor 4Q13639HTR4Homo sapiens (Human)388
612705-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
612685-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
612645-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479

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