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	CHEMBL1258270
Molecular formula	C25H33NO
IUPAC name	1-(2,5-dimethylphenyl)-4-[4-(2,5-dimethylphenyl)piperidin-1-yl]butan-1-one
Molecular weight	363.545
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	5.6
Synonyms	BDBM50328454 1-(2,5-dimethylphenyl)-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]butan-1-one
Inchi Key	QPOPFNWPFQDIQV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H33NO/c1-18-7-9-20(3)23(16-18)22-11-14-26(15-12-22)13-5-6-25(27)24-17-19(2)8-10-21(24)4/h7-10,16-17,22H,5-6,11-15H2,1-4H3
PubChem CID	52943802
ChEMBL	CHEMBL1258270
IUPHAR	N/A
BindingDB	50328454
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
283916	5-hydroxytryptamine receptor 2A	P50129	HTR2A	Sus scrofa (Pig)	470
283914	D(1A) dopamine receptor	P50130	DRD1	Sus scrofa (Pig)	446
283915	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443
283917	D(3) dopamine receptor	P35462	DRD3	Homo sapiens (Human)	400
529595	D(4) dopamine receptor	P21917	DRD4	Homo sapiens (Human)	467

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