Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX 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 NeBcon WDL-RF ATPbind DockRMSD

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

You can:

Ligand

NameCHEMBL336251
Molecular formulaC25H30F6N2O
IUPAC name1-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]-4-butylpiperazine
Molecular weight488.518
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP6.0
SynonymsBDBM50000221
1-[1-Phenyl-2-[3,5-bis(trifluoromethyl)benzyloxy]ethyl]-4-butylpiperazine
Inchi KeyAHZURDXLPGFUJZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H30F6N2O/c1-2-3-9-32-10-12-33(13-11-32)23(20-7-5-4-6-8-20)18-34-17-19-14-21(24(26,27)28)16-22(15-19)25(29,30)31/h4-8,14-16,23H,2-3,9-13,17-18H2,1H3
PubChem CID44358317
ChEMBLCHEMBL336251
IUPHARN/A
BindingDB50000221
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6022Substance-P receptorP25103TACR1Homo sapiens (Human)407

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