Home Research COVID-19 Services Publications People Teaching Job Opening 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 EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN 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 FASPR

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

NameCHEMBL2037432
Molecular formulaC22H25ClN2OS
IUPAC name1-[4-(1,3-benzothiazol-2-yl)butyl]-4-(4-chlorophenyl)piperidin-4-ol
Molecular weight400.965
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.2
SynonymsBDBM50384970
Inchi KeyCZOXEMUHIJZXSF-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H25ClN2OS/c23-18-10-8-17(9-11-18)22(26)12-15-25(16-13-22)14-4-3-7-21-24-19-5-1-2-6-20(19)27-21/h1-2,5-6,8-11,26H,3-4,7,12-16H2
PubChem CID60167309
ChEMBLCHEMBL2037432
IUPHARN/A
BindingDB50384970
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
545135-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
545115-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
545125-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
54510D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
523119D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
54509D(4) dopamine receptorP30729Drd4Rattus norvegicus (Rat)387
523118D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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