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	CHEMBL24879
Molecular formula	C34H49N3O10
IUPAC name	[1,4-bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl N-octylcarbamate
Molecular weight	659.777
Hydrogen bond acceptor	10
Hydrogen bond donor	1
XlogP	5.3
Synonyms	BDBM50046974 Octyl-carbamic acid 1,4-bis-(3,4,5-trimethoxy-benzoyl)-piperazin-2-ylmethyl ester
Inchi Key	BSDZFTJWNPWDIZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C34H49N3O10/c1-8-9-10-11-12-13-14-35-34(40)47-22-25-21-36(32(38)23-17-26(41-2)30(45-6)27(18-23)42-3)15-16-37(25)33(39)24-19-28(43-4)31(46-7)29(20-24)44-5/h17-20,25H,8-16,21-22H2,1-7H3,(H,35,40)
PubChem CID	10372180
ChEMBL	CHEMBL24879
IUPHAR	N/A
BindingDB	50046974
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. 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
31575	Platelet-activating factor receptor	P21556	PTAFR	Cavia porcellus (Guinea pig)	342

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