Zhang Lab

University of Michigan

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

GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	CHEMBL15986
Molecular formula	C23H28N2OS
IUPAC name	3-methyl-6-[4-(4-phenylpiperidin-1-yl)butyl]-1,3-benzothiazol-2-one
Molecular weight	380.55
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	5.1
Synonyms	SCHEMBL8117008 3-Methyl-6-[4-(4-phenylpiperidino)butyl]benzothiazoline-2-one 3-Methyl-6-[4-(4-phenyl-piperidin-1-yl)-butyl]-3H-benzothiazol-2-one BDBM50111632
Inchi Key	HNSXISBJVADGBQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H28N2OS/c1-24-21-11-10-18(17-22(21)27-23(24)26)7-5-6-14-25-15-12-20(13-16-25)19-8-3-2-4-9-19/h2-4,8-11,17,20H,5-7,12-16H2,1H3
PubChem CID	10339767
ChEMBL	CHEMBL15986
IUPHAR	N/A
BindingDB	50111632
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
119625	5-hydroxytryptamine receptor 1A	P19327	Htr1a	Rattus norvegicus (Rat)	422
119626	5-hydroxytryptamine receptor 2A	P14842	Htr2a	Rattus norvegicus (Rat)	471
119624	D(2) dopamine receptor	P61169	Drd2	Rattus norvegicus (Rat)	444
119623	Histamine H1 receptor	P31390	Hrh1	Rattus norvegicus (Rat)	486

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