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

Name2-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline
Molecular formulaC25H28N4O
IUPAC name2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
Molecular weight400.526
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.1
SynonymsCHEMBL1573984
MLS000734830
HMS2654E07
MolPort-005-041-334
MCULE-3605079573
[ Show all ]
Inchi KeyAFEPGCWUZSBSPH-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H28N4O/c1-4-29-16-19(17(2)27-29)15-28-13-12-22-21-10-5-6-11-23(21)26-24(22)25(28)18-8-7-9-20(14-18)30-3/h5-11,14,16,25-26H,4,12-13,15H2,1-3H3
PubChem CID16190420
ChEMBLCHEMBL1573984
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4107Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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