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	CHEMBL3262876
Molecular formula	C24H24N2O3
IUPAC name	1-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-2-phenylethanone
Molecular weight	388.467
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	3.5
Synonyms	MCULE-3484695850 1-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-2-phenylethanone AT-057/43316524 STK146424 2-(naphthalen-2-yloxy)-1-[4-(phenylacetyl)piperazin-1-yl]ethanone AC1LLREA MolPort-001-536-112 1-[4-[2-(2-naphthyloxy)acetyl]piperazin-1-yl]-2-phenyl-ethanone BAS 04057156 ZINC779577 2-naphthyl 2-oxo-2-[4-(phenylacetyl)-1-piperazinyl]ethyl ether AKOS000551057 Oprea1_450805 1-{4-[2-(Naphthalen-2-yloxy)-acetyl]-piperazin-1-yl}-2-phenyl-ethanone BDBM50011717 [ Show all ]
Inchi Key	BPTCJGVNSUEYAM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H24N2O3/c27-23(16-19-6-2-1-3-7-19)25-12-14-26(15-13-25)24(28)18-29-22-11-10-20-8-4-5-9-21(20)17-22/h1-11,17H,12-16,18H2
PubChem CID	1072081
ChEMBL	CHEMBL3262876
IUPHAR	N/A
BindingDB	50011717
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

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
29882	G-protein coupled receptor 183	Q3U6B2	Gpr183	Mus musculus (Mouse)	357
29883	G-protein coupled receptor 183	P32249	GPR183	Homo sapiens (Human)	361

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