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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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GPCR

Name	Vasopressin V1a receptor
Species	Rattus norvegicus (Rat)
Gene	Avpr1a
Synonym	AVPR AVPR V1a AVPR1 antidiuretic hormone receptor 1a V1A receptor V1aR Vascular/hepatic-type arginine vasopressin receptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	424
Amino acid sequence	MSFPRGSQDRSVGNSSPWWPLTTEGSNGSQEAARLGEGDSPLGDVRNEELAKLEIAVLAVIFVVAVLGNSSVLLALHRTPRKTSRMHLFIRHLSLADLAVAFFQVLPQLCWDITYRFRGPDWLCRVVKHLQVFAMFASAYMLVVMTADRYIAVCHPLKTLQQPARRSRLMIATSWVLSFILSTPQYFIFSVIEIEVNNGTKTQDCWATFIQPWGTRAYVTWMTSGVFVAPVVVLGTCYGFICYHIWRNIRGKTASSRHSKGDKGSGEAVGPFHKGLLVTPCVSSVKSISRAKIRTVKMTFVIVSAYILCWAPFFIVQMWSVWDENFIWTDSENPSITITALLASLNSCCNPWIYMFFSGHLLQDCVQSFPCCHSMAQKFAKDDSDSMSRRQTSYSNNRSPTNSTGMWKDSPKSSKSIRFIPVST
UniProt	P30560
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	CHEMBL2868
IUPHAR	366
DrugBank	N/A

Ligand

Name	CHEMBL59896
Molecular formula	C22H24N2O2
IUPAC name	1-[1-(4-methylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
Molecular weight	348.446
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	3.3
Synonyms	BDBM50045171 SCHEMBL7295089 1-[1-(4-Methyl-benzoyl)-piperidin-4-yl]-3,4-dihydro-1H-quinolin-2-one
Inchi Key	BNGBTYYUQJPHME-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H24N2O2/c1-16-6-8-18(9-7-16)22(26)23-14-12-19(13-15-23)24-20-5-3-2-4-17(20)10-11-21(24)25/h2-9,19H,10-15H2,1H3
PubChem CID	14969517
ChEMBL	CHEMBL59896
IUPHAR	N/A
BindingDB	50045171
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	500.0 nM	PMID8393113	BindingDB,ChEMBL
Inhibition	23.0 %	PMID8393113	ChEMBL

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