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

NameCHEMBL543612
Molecular formulaC27H32Cl2N2O2
IUPAC name1-[(4-chlorophenyl)-phenylmethyl]-4-[2-[(3-methoxyphenyl)methoxy]ethyl]piperazine;hydrochloride
Molecular weight487.465
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogPNone
SynonymsN/A
Inchi KeyHRAWIHUUDZOUFA-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H31ClN2O2.ClH/c1-31-26-9-5-6-22(20-26)21-32-19-18-29-14-16-30(17-15-29)27(23-7-3-2-4-8-23)24-10-12-25(28)13-11-24;/h2-13,20,27H,14-19,21H2,1H3;1H
PubChem CID45261051
ChEMBLCHEMBL543612
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
121910B2 bradykinin receptorP25023Bdkrb2Rattus norvegicus (Rat)396
121911Histamine H1 receptorP31389HRH1Cavia porcellus (Guinea pig)488

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