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

NameAC1NAGR7
Molecular formulaC24H23F3N2O3
IUPAC nameethyl 2-methyl-1-[3-oxo-3-[4-(trifluoromethyl)anilino]propyl]-5-phenylpyrrole-3-carboxylate
Molecular weight444.454
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.6
SynonymsNCGC00141014-01
HMS1916P21
CHEMBL1568559
K906-1917
AKOS002119988
[ Show all ]
Inchi KeyAIEFRJKOWRRFLP-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H23F3N2O3/c1-3-32-23(31)20-15-21(17-7-5-4-6-8-17)29(16(20)2)14-13-22(30)28-19-11-9-18(10-12-19)24(25,26)27/h4-12,15H,3,13-14H2,1-2H3,(H,28,30)
PubChem CID4451701
ChEMBLCHEMBL1568559
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
6134Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
463617Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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