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	CHEMBL158535
Molecular formula	C24H19ClN2O
IUPAC name	4-[5-(4-chlorophenyl)-3-(2-prop-2-enoxyphenyl)-1H-pyrrol-2-yl]pyridine
Molecular weight	386.879
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	5.8
Synonyms	2-(4-Pyridinyl)-3-[2-(allyloxy)phenyl]-5-(4-chlorophenyl)-1H-pyrrole BDBM50075749 4-[3-(2-Allyloxy-phenyl)-5-(4-chloro-phenyl)-1H-pyrrol-2-yl]-pyridine
Inchi Key	MOFSVJOQRDKEAF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H19ClN2O/c1-2-15-28-23-6-4-3-5-20(23)21-16-22(17-7-9-19(25)10-8-17)27-24(21)18-11-13-26-14-12-18/h2-14,16,27H,1,15H2
PubChem CID	12967035
ChEMBL	CHEMBL158535
IUPHAR	N/A
BindingDB	50075749
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
210351	Glucagon receptor	P47871	GCGR	Homo sapiens (Human)	477
210352	Glucagon receptor	Q61606	Gcgr	Mus musculus (Mouse)	485

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