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

NameCHEMBL3115779
Molecular formulaC18H23NO3
IUPAC name4-(2-hexylindol-1-yl)-4-oxobutanoic acid
Molecular weight301.386
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.1
SynonymsBDBM50446968
SCHEMBL3704023
Inchi KeyJCLFOJPAUXHVQB-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H23NO3/c1-2-3-4-5-9-15-13-14-8-6-7-10-16(14)19(15)17(20)11-12-18(21)22/h6-8,10,13H,2-5,9,11-12H2,1H3,(H,21,22)
PubChem CID68751567
ChEMBLCHEMBL3115779
IUPHARN/A
BindingDB50446968
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
147553Oxoeicosanoid receptor 1Q8TDS5OXER1Homo sapiens (Human)423

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