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	CHEMBL1087933
Molecular formula	C25H21ClN2O2
IUPAC name	2-[4-[2-[5-[(4-chlorophenyl)methyl]-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid
Molecular weight	416.905
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	6.1
Synonyms	4''-(2-(5-(4-chlorobenzyl)-1H-imidazol-2-yl)ethyl)biphenyl-2-carboxylic acid BDBM50313734
Inchi Key	DXQXSWQHJWEHDS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H21ClN2O2/c26-20-12-7-18(8-13-20)15-21-16-27-24(28-21)14-9-17-5-10-19(11-6-17)22-3-1-2-4-23(22)25(29)30/h1-8,10-13,16H,9,14-15H2,(H,27,28)(H,29,30)
PubChem CID	46881509
ChEMBL	CHEMBL1087933
IUPHAR	N/A
BindingDB	50313734
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
71552	Bombesin receptor subtype-3	O54798	Brs3	Mus musculus (Mouse)	399
71553	Bombesin receptor subtype-3	P32247	BRS3	Homo sapiens (Human)	399

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