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

NameCHEMBL220521
Molecular formulaC12H13ClN2O2
IUPAC name(10bR)-10-chloro-7-methoxy-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one
Molecular weight252.698
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP0.9
Synonyms((R)-10-chloro-7-methoxy-1,3,4,10b-tetrahydropyrazino[2,1-a]isoindol-6(2 H)-one
BDBM50205885
SCHEMBL13119133
Inchi KeyAGSBXAJKEQTLFT-QMMMGPOBSA-N
Inchi IDInChI=1S/C12H13ClN2O2/c1-17-9-3-2-7(13)10-8-6-14-4-5-15(8)12(16)11(9)10/h2-3,8,14H,4-6H2,1H3/t8-/m0/s1
PubChem CID16115390
ChEMBLCHEMBL220521
IUPHARN/A
BindingDB50205885
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
51645-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
51625-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
51635-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458

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