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 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

NameCHEMBL181278
Molecular formulaC27H34N2O5
IUPAC name2-[2-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]ethoxy]-4-methoxybenzoic acid
Molecular weight466.578
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP1.6
Synonyms2-(2-{4-[1-(2-Ethoxy-ethyl)-1H-indol-3-yl]-piperidin-1-yl}-ethoxy)-4-methoxy-benzoic acid
BDBM50156893
2-(2-{4-[1-(2-ethoxyethyl)-1H-indol-3-yl]piperidin-1-yl}ethoxy)-4-methoxybenzoic acid
Inchi KeyAPMPCPAXNMGHPX-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H34N2O5/c1-3-33-16-15-29-19-24(22-6-4-5-7-25(22)29)20-10-12-28(13-11-20)14-17-34-26-18-21(32-2)8-9-23(26)27(30)31/h4-9,18-20H,3,10-17H2,1-2H3,(H,30,31)
PubChem CID11340290
ChEMBLCHEMBL181278
IUPHARN/A
BindingDB50156893
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
11133Histamine H1 receptorP31389HRH1Cavia porcellus (Guinea pig)488
11132Histamine H2 receptorP25021HRH2Homo sapiens (Human)359
11131Histamine H3 receptorP58406Hrh3Mus musculus (Mouse)445

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