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

NameMLS000331038
Molecular formulaC24H21NO3
IUPAC name4-[(3,5-dimethylanilino)methyl]-6-hydroxy-7-phenylchromen-2-one
Molecular weight371.436
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.9
Synonyms4-[(3,5-dimethylanilino)methyl]-6-hydroxy-7-phenyl-2H-chromen-2-one
CHEMBL1463602
4-{[(3,5-dimethylphenyl)amino]methyl}-6-hydroxy-7-phenylchromen-2-one
MolPort-002-635-146
AKOS002228695
[ Show all ]
Inchi KeyAIFRPVKWQQABQV-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H21NO3/c1-15-8-16(2)10-19(9-15)25-14-18-11-24(27)28-23-13-20(22(26)12-21(18)23)17-6-4-3-5-7-17/h3-13,25-26H,14H2,1-2H3
PubChem CID3464731
ChEMBLCHEMBL1463602
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
6170Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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