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

NameCHEMBL237179
Molecular formulaC20H22ClN3O2S
IUPAC name3-(4-chlorophenyl)sulfonyl-1-(1-ethylpiperidin-3-yl)pyrrolo[2,3-b]pyridine
Molecular weight403.925
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.5
SynonymsBDBM50217886
1-(1-ethylpiperidin-3-yl)-3-[(4-chlorophenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridine
Inchi KeyALCXYHPCAIHWAC-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H22ClN3O2S/c1-2-23-12-4-5-16(13-23)24-14-19(18-6-3-11-22-20(18)24)27(25,26)17-9-7-15(21)8-10-17/h3,6-11,14,16H,2,4-5,12-13H2,1H3
PubChem CID44435632
ChEMBLCHEMBL237179
IUPHARN/A
BindingDB50217886
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
81495-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440

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