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

NameCHEMBL318639
Molecular formulaC17H22N2O
IUPAC name1-(7-methoxy-4,4-dimethylindeno[1,2-b]pyrrol-1-yl)propan-2-amine
Molecular weight270.376
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP2.6
SynonymsL013159
Inchi KeyBVTYPXOYRUAGFD-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H22N2O/c1-11(18)10-19-8-7-15-16(19)13-9-12(20-4)5-6-14(13)17(15,2)3/h5-9,11H,10,18H2,1-4H3
PubChem CID19036360
ChEMBLCHEMBL318639
IUPHARN/A
BindingDBN/A
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
340715-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
340725-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460
340735-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458

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