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	CHEMBL1099113
Molecular formula	C23H16N2
IUPAC name	5-(2-methylquinolin-7-yl)-2-phenylbenzonitrile
Molecular weight	320.395
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	5.6
Synonyms	BDBM50317849 D0M1EI 5-(2-Methylquinolin-7-yl)-2-phenylbenzonitrile
Inchi Key	AGKCPUQJKJZENU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H16N2/c1-16-7-8-18-9-10-20(14-23(18)25-16)19-11-12-22(21(13-19)15-24)17-5-3-2-4-6-17/h2-14H,1H3
PubChem CID	46888045
ChEMBL	CHEMBL1099113
IUPHAR	N/A
BindingDB	50317849
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
4944	Metabotropic glutamate receptor 1	Q13255	GRM1	Homo sapiens (Human)	1194
4942	Metabotropic glutamate receptor 2	Q14416	GRM2	Homo sapiens (Human)	872
4943	Metabotropic glutamate receptor 4	Q14833	GRM4	Homo sapiens (Human)	912
4945	Metabotropic glutamate receptor 5	P31424	Grm5	Rattus norvegicus (Rat)	1203
4947	Metabotropic glutamate receptor 6	O15303	GRM6	Homo sapiens (Human)	877
4946	Metabotropic glutamate receptor 8	O00222	GRM8	Homo sapiens (Human)	908

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