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	CHEMBL416505
Molecular formula	C20H21N3O2
IUPAC name	1-[1-(pyridine-4-carbonyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
Molecular weight	335.407
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	1.9
Synonyms	1-[1-(4-Pyridinylcarbonyl)-4-piperidinyl]-3,4-dihydro-2(1H)-quinolone BDBM50045169 1-[1-(Pyridine-4-carbonyl)-piperidin-4-yl]-3,4-dihydro-1H-quinolin-2-one
Inchi Key	FCFIXKIPVHSFDC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H21N3O2/c24-19-6-5-15-3-1-2-4-18(15)23(19)17-9-13-22(14-10-17)20(25)16-7-11-21-12-8-16/h1-4,7-8,11-12,17H,5-6,9-10,13-14H2
PubChem CID	14969507
ChEMBL	CHEMBL416505
IUPHAR	N/A
BindingDB	50045169
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
74866	Vasopressin V1a receptor	P30560	Avpr1a	Rattus norvegicus (Rat)	424
74867	Vasopressin V2 receptor	Q00788	Avpr2	Rattus norvegicus (Rat)	371

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