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

NameMLS003117924
Molecular formulaC22H29N3O
IUPAC name2-methyl-N-(3-methylbutyl)-1-[(4-pyridin-2-ylphenyl)methyl]azetidine-2-carboxamide
Molecular weight351.494
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.7
SynonymsSMR001281252
CHEMBL1886426
Inchi KeyAHGWSSPTANVEEY-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H29N3O/c1-17(2)11-14-24-21(26)22(3)12-15-25(22)16-18-7-9-19(10-8-18)20-6-4-5-13-23-20/h4-10,13,17H,11-12,14-16H2,1-3H3,(H,24,26)
PubChem CID49789307
ChEMBLCHEMBL1886426
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5534Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
463552Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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