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

NameCHEMBL87717
Molecular formulaC23H24FNO2
IUPAC name2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2,3-dihydroinden-1-one
Molecular weight365.448
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.0
SynonymsBDBM50409497
LS-81835
QF-0307B
Inchi KeyAVNSTIVMFUJDDN-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H24FNO2/c24-20-7-5-16(6-8-20)22(26)17-9-12-25(13-10-17)14-11-19-15-18-3-1-2-4-21(18)23(19)27/h1-8,17,19H,9-15H2
PubChem CID9951008
ChEMBLCHEMBL87717
IUPHARN/A
BindingDB50409497
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
154525-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
154565-hydroxytryptamine receptor 2BP30994Htr2bRattus norvegicus (Rat)479
154545-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
15453D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
15455D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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