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

NameMLS000590577
Molecular formulaC29H20ClNO2
IUPAC name3-(4-chlorophenyl)-1,6,6-triphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
Molecular weight449.934
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP6.1
SynonymsAC1NEJ7A
MolPort-000-803-078
3-(4-chlorophenyl)-5,6,6-triphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
MCULE-8437082352
AKOS005472822
[ Show all ]
Inchi KeyAEVLUTIKJJHCAL-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H20ClNO2/c30-23-16-18-24(19-17-23)31-26(32)25-28(20-10-4-1-5-11-20,21-12-6-2-7-13-21)29(25,27(31)33)22-14-8-3-9-15-22/h1-19,25H
PubChem CID4593075
ChEMBLCHEMBL1501186
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3885Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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