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

NameCHEMBL541129
Molecular formulaC21H32Cl2FN3
IUPAC name6-fluoro-3-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]-1H-indole;dihydrochloride
Molecular weight416.406
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogPNone
SynonymsN/A
Inchi KeyCBVIZALJZCCOHS-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H30FN3.2ClH/c22-18-5-6-19-20(16-23-21(19)15-18)17-7-13-25(14-8-17)12-4-11-24-9-2-1-3-10-24;;/h5-6,15-17,23H,1-4,7-14H2;2*1H
PubChem CID45265779
ChEMBLCHEMBL541129
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
38245Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
38247Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
38246Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572

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