Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX SSIPe ResQ IonCom STRUM DAMpred

TM-score TM-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 WDL-RF ATPbind DockRMSD DeepMSA

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL2037531
Molecular formulaC23H26N2OS
IUPAC name1-(1,3-benzothiazol-2-yl)-5-(4-phenylpiperidin-1-yl)pentan-1-one
Molecular weight378.534
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP5.3
SynonymsBDBM50384967
Inchi KeyCHGXPKZHRZIZSQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H26N2OS/c26-21(23-24-20-10-4-5-12-22(20)27-23)11-6-7-15-25-16-13-19(14-17-25)18-8-2-1-3-9-18/h1-5,8-10,12,19H,6-7,11,13-17H2
PubChem CID60165413
ChEMBLCHEMBL2037531
IUPHARN/A
BindingDB50384967
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
419725-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
419755-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
419745-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
419735-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
41976D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
41970D(4) dopamine receptorP30729Drd4Rattus norvegicus (Rat)387
41971Histamine H1 receptorP35367HRH1Homo sapiens (Human)487

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