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

NameCHEMBL3392290
Molecular formulaC27H41N3O6
IUPAC nameoxalic acid;N-[[4-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]butan-1-amine;hydrate
Molecular weight503.64
Hydrogen bond acceptor9
Hydrogen bond donor4
XlogPNone
SynonymsN/A
Inchi KeyAFWIIFBWFCVCRM-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H37N3O.C2H2O4.H2O/c1-4-5-14-26-19-22-10-12-23(13-11-22)20-27-15-17-28(18-16-27)24-8-6-7-9-25(24)29-21(2)3;3-1(4)2(5)6;/h6-13,21,26H,4-5,14-20H2,1-3H3;(H,3,4)(H,5,6);1H2
PubChem CID118725284
ChEMBLCHEMBL3392290
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4418865-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
441887D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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