Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER C-I-TASSER QUARK C-QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH Threapp BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN BindProf BindProfX SSIPe 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 SVMSEQ NeBcon ResPRE TripletRes WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner

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

NameCHEMBL606384
Molecular formulaC25H26N2O2
IUPAC name3-[1-[2-(7-methoxy-1-benzofuran-3-yl)propyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
Molecular weight386.495
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.9
Synonyms3-(1-(2-(7-methoxybenzofuran-3-yl)propyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
BDBM50306475
SCHEMBL5478818
Inchi KeyAJOMKROPHNVIEM-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H26N2O2/c1-17(22-16-29-25-20(22)7-5-9-24(25)28-2)15-27-12-10-18(11-13-27)21-14-26-23-8-4-3-6-19(21)23/h3-10,14,16-17,26H,11-13,15H2,1-2H3
PubChem CID11361175
ChEMBLCHEMBL606384
IUPHARN/A
BindingDB50306475
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
70875-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422

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