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

NameCHEMBL2326175
Molecular formulaC23H24FN5
IUPAC name1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methyl-1,2,4-triazol-3-yl)indole
Molecular weight389.478
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.1
SynonymsBDBM50426619
1-(4-Fluorophenyl)-3-(1-methylpiperidine-4-yl)-5-(1-methyl-1H-1,2,4-triazole-3-yl)-1H-indole
Inchi KeyQHNXJRSEHMJHRM-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H24FN5/c1-27-11-9-16(10-12-27)21-14-29(19-6-4-18(24)5-7-19)22-8-3-17(13-20(21)22)23-25-15-28(2)26-23/h3-8,13-16H,9-12H2,1-2H3
PubChem CID71508712
ChEMBLCHEMBL2326175
IUPHARN/A
BindingDB50426619
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
2784785-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
278475Alpha-1A adrenergic receptorP18130ADRA1ABos taurus (Bovine)466
278479Alpha-1B adrenergic receptorP18841ADRA1BMesocricetus auratus (Golden hamster)515
278477Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561
278476D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443

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