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:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

GPCR

Name	Vasopressin V2 receptor
Species	Rattus norvegicus (Rat)
Gene	Avpr2
Synonym	AVPR V2 Antidiuretic hormone receptor ADHR Renal-type arginine vasopressin receptor V2 receptor V2R DIR3 [ Show all ]
Disease	N/A for non-human GPCRs
Length	371
Amino acid sequence	MLLVSTVSAVPGLFSPPSSPSNSSQEELLDDRDPLLVRAELALLSTIFVAVALSNGLVLGALIRRGRRGRWAPMHVFISHLCLADLAVALFQVLPQLAWDATDRFHGPDALCRAVKYLQMVGMYASSYMILAMTLDRHRAICRPMLAYRHGGGARWNRPVLVAWAFSLLLSLPQLFIFAQRDVGNGSGVFDCWARFAEPWGLRAYVTWIALMVFVAPALGIAACQVLIFREIHASLVPGPSERAGRRRRGRRTGSPSEGAHVSAAMAKTVRMTLVIVIVYVLCWAPFFLVQLWAAWDPEAPLERPPFVLLMLLASLNSCTNPWIYASFSSSVSSELRSLLCCAQRHTTHSLGPQDESCATASSSLMKDTPS
UniProt	Q00788
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3766
IUPHAR	368
DrugBank	N/A

Ligand

Name	CHEMBL324935
Molecular formula	C20H22N2O2
IUPAC name	N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2-methylpropanamide
Molecular weight	322.408
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	3.5
Synonyms	SCHEMBL7358212 MolPort-001-585-736 ZINC4694491 2-methyl-N-[4-(1,2,3,4-tetrahydroquinolylcarbonyl)phenyl]propanamide N-[4-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)phenyl]-2-methylpropanamide AKOS003344508 ST50631181 N-[4-(3,4-Dihydro-2H-quinoline-1-carbonyl)-phenyl]-isobutyramide N-{4-[3,4-dihydro-1(2H)-quinolinylcarbonyl]phenyl}-2-methylpropanamide BDBM50052952 MCULE-9808161924 STK151426 N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2-methylpropanamide AC1NP4X1 [ Show all ]
Inchi Key	GSJBILDUFGGDEH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H22N2O2/c1-14(2)19(23)21-17-11-9-16(10-12-17)20(24)22-13-5-7-15-6-3-4-8-18(15)22/h3-4,6,8-12,14H,5,7,13H2,1-2H3,(H,21,23)
PubChem CID	5099582
ChEMBL	CHEMBL324935
IUPHAR	N/A
BindingDB	50052952
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	8100.0 nM	PMID8784453	BindingDB,ChEMBL

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