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

NameCHEMBL11134
Molecular formulaC24H25N3
IUPAC name2-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]-N-(pyridin-4-ylmethyl)ethanamine
Molecular weight355.485
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP4.7
Synonyms{2-[2-(3,5-Dimethyl-phenyl)-1H-indol-3-yl]-ethyl}-pyridin-4-ylmethyl-amine
BDBM50099049
N-(4-Pyridinylmethyl)-2-(3,5-dimethylphenyl)-1H-indole-3-ethanamine
Inchi KeyAFOLPDIPZANTOF-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H25N3/c1-17-13-18(2)15-20(14-17)24-22(21-5-3-4-6-23(21)27-24)9-12-26-16-19-7-10-25-11-8-19/h3-8,10-11,13-15,26-27H,9,12,16H2,1-2H3
PubChem CID44267257
ChEMBLCHEMBL11134
IUPHARN/A
BindingDB50099049
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
4351Gonadotropin-releasing hormone receptorP30969GnrhrRattus norvegicus (Rat)327

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