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

Name5HT6-ligand-1
Molecular formulaC20H22BrN3O2S
IUPAC name1-(2-bromophenyl)sulfonyl-4-[(4-methylpiperazin-1-yl)methyl]indole
Molecular weight448.379
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.6
SynonymsSCHEMBL3216224
BDBM50402702
CS-7163
HY-U00126
CHEMBL2207386
Inchi KeyAGKMPGSBLMAGAX-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H22BrN3O2S/c1-22-11-13-23(14-12-22)15-16-5-4-7-19-17(16)9-10-24(19)27(25,26)20-8-3-2-6-18(20)21/h2-10H,11-15H2,1H3
PubChem CID24965679
ChEMBLCHEMBL2207386
IUPHARN/A
BindingDB50402702
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
49555-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
49535-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
4952Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
4957D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
4956D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
4954Histamine H1 receptorP35367HRH1Homo sapiens (Human)487

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