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	CHEMBL1096197
Molecular formula	C22H15N3
IUPAC name	5-(2-methylquinolin-7-yl)-2-phenylpyridine-3-carbonitrile
Molecular weight	321.383
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	4.5
Synonyms	5-(2-Methylquinolin-7-yl)-2-phenylnicotinonitrile BDBM50317856 D0I1TB
Inchi Key	NENPIXNGFVWRLL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H15N3/c1-15-7-8-16-9-10-18(12-21(16)25-15)20-11-19(13-23)22(24-14-20)17-5-3-2-4-6-17/h2-12,14H,1H3
PubChem CID	46888089
ChEMBL	CHEMBL1096197
IUPHAR	N/A
BindingDB	50317856
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
221359	Metabotropic glutamate receptor 1	Q13255	GRM1	Homo sapiens (Human)	1194
221361	Metabotropic glutamate receptor 2	Q14416	GRM2	Homo sapiens (Human)	872
221360	Metabotropic glutamate receptor 4	Q14833	GRM4	Homo sapiens (Human)	912
221362	Metabotropic glutamate receptor 5	P31424	Grm5	Rattus norvegicus (Rat)	1203
221363	Metabotropic glutamate receptor 6	O15303	GRM6	Homo sapiens (Human)	877
221358	Metabotropic glutamate receptor 8	O00222	GRM8	Homo sapiens (Human)	908

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