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	CHEMBL1396103
Molecular formula	C18H16N2O2
IUPAC name	2-methyl-N-(3-methylphenyl)-4-oxo-1H-quinoline-6-carboxamide
Molecular weight	292.338
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.1
Synonyms	4-hydroxy-2-methyl-N-(m-tolyl)quinoline-6-carboxamide D421-0723 ST50778044 AKOS002331799 HMS3459K02 (4-hydroxy-2-methyl(6-quinolyl))-N-(3-methylphenyl)carboxamide MolPort-010-676-921 4-Hydroxy-2-methyl-quinoline-6-carboxylic acid m-tolylamide F3367-0015 ZINC12422095 AKOS021915837 MCULE-7642721108 2-methyl-N-(3-methylphenyl)-4-oxo-1,4-dihydroquinoline-6-carboxamide NCGC00119788-01 940983-96-0 HMS1856P16 BB 0221673 MolPort-005-289-760 [ Show all ]
Inchi Key	ANUUNCRCHWVWOD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H16N2O2/c1-11-4-3-5-14(8-11)20-18(22)13-6-7-16-15(10-13)17(21)9-12(2)19-16/h3-10H,1-2H3,(H,19,21)(H,20,22)
PubChem CID	16016520
ChEMBL	CHEMBL1396103
IUPHAR	N/A
BindingDB	N/A
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
9915	Relaxin receptor 1	Q9HBX9	RXFP1	Homo sapiens (Human)	757

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