Zhang Lab

University of Michigan

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum -->

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 ●StarFunc ●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	CHEMBL2179646
Molecular formula	C26H22ClNO3
IUPAC name	2-chloro-5-[3-(2-cyclopentyl-1-oxo-3H-isoindol-5-yl)phenyl]benzoic acid
Molecular weight	431.916
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	5.6
Synonyms	SCHEMBL787110 BDBM50398728 PPCUNFCLHSRGJB-UHFFFAOYSA-N 4-Chloro-3'-(2-cyclopentyl-1-oxoisoindolin-5-yl)biphenyl-3-carboxylic acid
Inchi Key	PPCUNFCLHSRGJB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H22ClNO3/c27-24-11-9-19(14-23(24)26(30)31)17-5-3-4-16(12-17)18-8-10-22-20(13-18)15-28(25(22)29)21-6-1-2-7-21/h3-5,8-14,21H,1-2,6-7,15H2,(H,30,31)
PubChem CID	66799514
ChEMBL	CHEMBL2179646
IUPHAR	N/A
BindingDB	50398728
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
265333	Metabotropic glutamate receptor 1	P23385	Grm1	Rattus norvegicus (Rat)	1199
265334	Metabotropic glutamate receptor 2	P31421	Grm2	Rattus norvegicus (Rat)	872
565537	Metabotropic glutamate receptor 2	Q14416	GRM2	Homo sapiens (Human)	872
265340	Metabotropic glutamate receptor 3	P31422	Grm3	Rattus norvegicus (Rat)	879
265339	Metabotropic glutamate receptor 4	P31423	Grm4	Rattus norvegicus (Rat)	912
265338	Metabotropic glutamate receptor 5	P31424	Grm5	Rattus norvegicus (Rat)	1203
265335	Metabotropic glutamate receptor 6	P35349	Grm6	Rattus norvegicus (Rat)	871
265337	Metabotropic glutamate receptor 8	P70579	Grm8	Rattus norvegicus (Rat)	908

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