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	CHEMBL434247
Molecular formula	C29H26O3
IUPAC name	2-methyl-3-[2-[3-(2-phenylmethoxyphenyl)phenyl]phenyl]propanoic acid
Molecular weight	422.524
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	7.0
Synonyms	alpha-Methyl-2''-(benzyloxy)-1,1':3',1''-terbenzene-2-propionic acid 3-(2''''-Benzyloxy-[1,1'';3'',1'''']terphenyl-2-yl)-2-methyl-propionic acid BDBM50134511
Inchi Key	BWEWSCNBSSRZNC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H26O3/c1-21(29(30)31)18-23-12-5-6-15-26(23)24-13-9-14-25(19-24)27-16-7-8-17-28(27)32-20-22-10-3-2-4-11-22/h2-17,19,21H,18,20H2,1H3,(H,30,31)
PubChem CID	21362849
ChEMBL	CHEMBL434247
IUPHAR	N/A
BindingDB	50134511
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
34374	Prostaglandin E2 receptor EP1 subtype	P34995	PTGER1	Homo sapiens (Human)	402
34376	Prostaglandin E2 receptor EP2 subtype	P43116	PTGER2	Homo sapiens (Human)	358
34373	Prostaglandin E2 receptor EP3 subtype	P43115	PTGER3	Homo sapiens (Human)	390
34375	Prostaglandin E2 receptor EP4 subtype	P35408	PTGER4	Homo sapiens (Human)	488

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