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

Name3-MPPI
Molecular formulaC23H25N5O3
IUPAC name3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
Molecular weight419.485
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.7
SynonymsCHEMBL301707
133399-65-2
NCGC00024664-01
Tocris-0581
AC1N1ZOQ
[ Show all ]
Inchi KeyAQASGOHUMGAWJJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H25N5O3/c1-31-19-9-5-4-8-18(19)27-13-10-26(11-14-27)12-15-28-22(29)21-20(25-23(28)30)16-6-2-3-7-17(16)24-21/h2-9,24H,10-15H2,1H3,(H,25,30)
PubChem CID4013695
ChEMBLCHEMBL301707
IUPHARN/A
BindingDB50006952
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
115295-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
11527Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
11531Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
11530Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
11532Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
11528Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
442153Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561
11533Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413

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