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 V1a receptor
Species	Microtus ochrogaster (Prairie vole)
Gene	Avpr1a
Synonym	Antidiuretic hormone receptor 1a AVPR V1a V1aR Vascular/hepatic-type arginine vasopressin receptor
Disease	N/A for non-human GPCRs
Length	420
Amino acid sequence	MSFPRGSYDPAASNSSPWWPLSAEDANSSWEAAGHQKGSDPSGDVRNEELAKLEIAVLAVIFVVAVLGNSSVLLALHRTPRKTSRMHLFIRHLSLADLAVAFFQVLPQLCWDITYRFRGPDWLCRVVKHLQVFAMFASAYMLVVMTADRYIAVCHPLKTLQQPTRRSRLMIAASWVLSFLLSTPQYFIFSMIEIEVNNGTKTQDCWATFIQPWGTRAYVTWMTSGVFVVPVVILGTCYGFICYHIWRNVRGKTASRQSKGSGEDVAPFHKGLLVTPCVSSVKTISRAKIRTVKMTFVIVTAYILCWAPFFIVQMWSVWDDNFIWTDSENPSITITALLASLNSCCNPWIYMFFSGHLLQDCVQSFPCCQRMVQKFTKDDSDNMSRRHTSYSNNRSPTNSTGTWKDSPKSSRSIRFIPVST
UniProt	Q9WTV9
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	CHEMBL2016428
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL2017869
Molecular formula	C30H38FN3O6S
IUPAC name	1-[1-[2-[2-(2-fluoroethoxy)-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]acetyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one
Molecular weight	587.707
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	3.0
Synonyms	ALS-I-41 BDBM50380759 J3.603.231F
Inchi Key	SYRRIFTXJYXCIX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C30H38FN3O6S/c1-41(37,38)33-17-12-25(13-18-33)40-26-8-6-23(28(21-26)39-19-14-31)20-30(36)32-15-10-24(11-16-32)34-27-5-3-2-4-22(27)7-9-29(34)35/h2-6,8,21,24-25H,7,9-20H2,1H3
PubChem CID	57519948
ChEMBL	CHEMBL2017869
IUPHAR	N/A
BindingDB	50380759
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	9.4 nM	PMID22425346	BindingDB,ChEMBL

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