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	CHEMBL197026
Molecular formula	C24H25F3N4O3
IUPAC name	N-[2-(4-aminopiperidin-1-yl)-4-methylquinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
Molecular weight	474.484
Hydrogen bond acceptor	9
Hydrogen bond donor	2
XlogP	4.7
Synonyms	BDBM50172425 N-[2-(4-Amino-piperidin-1-yl)-4-methyl-quinolin-6-yl]-2-(4-trifluoromethoxy-phenoxy)-acetamide SCHEMBL5910683
Inchi Key	BEVTZBDUQNCQFB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H25F3N4O3/c1-15-12-22(31-10-8-16(28)9-11-31)30-21-7-2-17(13-20(15)21)29-23(32)14-33-18-3-5-19(6-4-18)34-24(25,26)27/h2-7,12-13,16H,8-11,14,28H2,1H3,(H,29,32)
PubChem CID	10027853
ChEMBL	CHEMBL197026
IUPHAR	N/A
BindingDB	50172425
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
21952	Melanin-concentrating hormone receptor 1	Q99705	MCHR1	Homo sapiens (Human)	422
21951	Melanin-concentrating hormone receptor 2	Q969V1	MCHR2	Homo sapiens (Human)	340

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