Zhang Lab

National University of Singapore

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 ●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	CHEMBL3769758
Molecular formula	C22H17FN4O2
IUPAC name	2-[6-[4-[(4-fluorophenyl)methoxy]-2-oxopyridin-1-yl]-3-methylimidazo[1,2-a]pyridin-2-yl]acetonitrile
Molecular weight	388.402
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.2
Synonyms	BDBM50149033 GBEKQHJQGUQKCW-UHFFFAOYSA-N (6-(4-((4-Fluorobenzyl)oxy)-2-oxopyridin-1(2H)-yl)-3-methylimidazo[1,2-a]pyridin-2-yl)acetonitrile SCHEMBL15126560
Inchi Key	GBEKQHJQGUQKCW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H17FN4O2/c1-15-20(8-10-24)25-21-7-6-18(13-27(15)21)26-11-9-19(12-22(26)28)29-14-16-2-4-17(23)5-3-16/h2-7,9,11-13H,8,14H2,1H3
PubChem CID	89702355
ChEMBL	CHEMBL3769758
IUPHAR	N/A
BindingDB	50149033
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
524174	Melanin-concentrating hormone receptor 1	Q99705	MCHR1	Homo sapiens (Human)	422
524175	Melanin-concentrating hormone receptor 1	P97639	Mchr1	Rattus norvegicus (Rat)	353

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417