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	CHEMBL333139
Molecular formula	C23H20N2O2
IUPAC name	N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide
Molecular weight	356.425
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	4.2
Synonyms	N-[4-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)phenyl]benzamide BDBM50052940 STK873884 N-[4-(1,2,3,4-Tetrahydroquinoline-1-ylcarbonyl)phenyl]benzamide N~1~-{4-[3,4-dihydro-1(2H)-quinolinylcarbonyl]phenyl}benzamide BOWXEPIUZVMXHM-UHFFFAOYSA-N MCULE-5268672558 ZINC10461620 1-[4-(benzoylamino)benzoyl-]-1,2,3,4-tetrahydroquinoline N-[4-(3,4-Dihydro-2H-quinoline-1-carbonyl)-phenyl]-benzamide AKOS005612437 SCHEMBL7345982 MolPort-008-324-055 1-[4-(benzoylamino)benzoyl]-1,2,3,4-tetrahydroquinoline [ Show all ]
Inchi Key	BOWXEPIUZVMXHM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H20N2O2/c26-22(18-8-2-1-3-9-18)24-20-14-12-19(13-15-20)23(27)25-16-6-10-17-7-4-5-11-21(17)25/h1-5,7-9,11-15H,6,10,16H2,(H,24,26)
PubChem CID	10642000
ChEMBL	CHEMBL333139
IUPHAR	N/A
BindingDB	50052940
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
29227	Vasopressin V1a receptor	P30560	Avpr1a	Rattus norvegicus (Rat)	424
29226	Vasopressin V2 receptor	Q00788	Avpr2	Rattus norvegicus (Rat)	371

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