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	CHEMBL132655
Molecular formula	C27H26ClN3O
IUPAC name	2-(3-chlorophenyl)-2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]acetonitrile
Molecular weight	443.975
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	5.0
Synonyms	BDBM50003547 2-[4-(3,3-Diphenylpropionyl)-1-piperazinyl]-2-(3-chlorophenyl)acetonitrile (3-Chloro-phenyl)-[4-(3,3-diphenyl-propionyl)-piperazin-1-yl]-acetonitrile
Inchi Key	FYZXXCWVPPJHHN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H26ClN3O/c28-24-13-7-12-23(18-24)26(20-29)30-14-16-31(17-15-30)27(32)19-25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-13,18,25-26H,14-17,19H2
PubChem CID	10026451
ChEMBL	CHEMBL132655
IUPHAR	N/A
BindingDB	50003547
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
90687	Platelet-activating factor receptor	P21556	PTAFR	Cavia porcellus (Guinea pig)	342
90688	Platelet-activating factor receptor	Q62035	Ptafr	Mus musculus (Mouse)	341
90689	Platelet-activating factor receptor	P46002	Ptafr	Rattus norvegicus (Rat)	341

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