Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN BindProf BindProfX SSIPe ResQ IonCom STRUM DAMpred

TM-score TM-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 WDL-RF ATPbind DockRMSD DeepMSA FASPR

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL88365
Molecular formulaC17H20N2O
IUPAC name3-(4-benzylpiperazin-1-yl)phenol
Molecular weight268.36
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.0
Synonyms3-(4-Benzyl-piperazin-1-yl)-phenol
D04PBA
SCHEMBL13902706
BDBM50069907
ZINC26638652
[ Show all ]
Inchi KeyBISVFNHMXVNVMG-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H20N2O/c20-17-8-4-7-16(13-17)19-11-9-18(10-12-19)14-15-5-2-1-3-6-15/h1-8,13,20H,9-12,14H2
PubChem CID10015867
ChEMBLCHEMBL88365
IUPHARN/A
BindingDB50069907
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
246945-hydroxytryptamine receptor 1AQ64264Htr1aMus musculus (Mouse)421
24692D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
24693D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
24696D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
24695D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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