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	Mus musculus (Mouse)
Gene	Avpr1a
Synonym	Antidiuretic hormone receptor 1a AVPR AVPR V1a AVPR1 V1A receptor V1aR Vascular/hepatic-type arginine vasopressin receptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	423
Amino acid sequence	MSFPRGSHDLPAGNSSPWWPLTTEGANSSREAAGLGEGGSPPGDVRNEELAKLEVTVLAVIFVVAVLGNSSVLLALHRTPRKTSRMHLFIRHLSLADLAVAFFQVLPQLCWDITYRFRGPDWLCRVVKHLQVFAMFASSYMLVVMTADRYIAVCHPLKTLQQPARRSRLMIAASWGLSFVLSIPQYFIFSVIEFEVNNGTKAQDCWATFIPPWGTRAYVTWMTSGVFVVPVIILGTCYGFICYHIWRNVRGKTASRQSKGGKGSGEAAGPFHKGLLVTPCVSSVKSISRAKIRTVKMTFVIVSAYILCWTPFFIVQMWSVWDTNFVWTDSENPSTTITALLASLNSCCNPWIYMFFSGHLLQDCVQSFPCCQSIAQKFAKDDSDSMSRRQTSYSNNRSPTNSTGTWKDSPKSSKSIRFIPVST
UniProt	Q62463
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	CHEMBL3414410
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL3416879
Molecular formula	C20H19ClN2O
IUPAC name	(6-chloro-1H-indol-3-yl)-(4-phenylpiperidin-1-yl)methanone
Molecular weight	338.835
Hydrogen bond acceptor	1
Hydrogen bond donor	1
XlogP	4.4
Synonyms	BDBM50077226 SCHEMBL614997
Inchi Key	CVKSYQXMZUFRCL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H19ClN2O/c21-16-6-7-17-18(13-22-19(17)12-16)20(24)23-10-8-15(9-11-23)14-4-2-1-3-5-14/h1-7,12-13,15,22H,8-11H2
PubChem CID	59429617
ChEMBL	CHEMBL3416879
IUPHAR	N/A
BindingDB	50077226
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	1491.0 nM	PMID25654260	BindingDB,ChEMBL

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