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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	CHEMBL331956
Molecular formula	C18H18N2O2
IUPAC name	N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]acetamide
Molecular weight	294.354
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	2.5
Synonyms	MLS001204603 SMR000515579 BAS 00854680 CBMicro_029259 N-[4-(3,4-Dihydro-2H-quinoline-1-carbonyl)-phenyl]-acetamide ST043120 HMS2848B15 Oprea1_490479 AC1LDM5T MolPort-001-508-345 SR-01000426153 BDBM50052917 N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]acetamide STK076695 MCULE-5180066320 Oprea1_834200 AKOS000678156 N-[4-(1,2,3,4-tetrahydroquinolylcarbonyl)phenyl]acetamide SR-01000426153-1 BIM-0029123.P001 N-[4-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)phenyl]acetamide ZINC30071 AB00094979-01 [ Show all ]
Inchi Key	BTHHYGOCYRAYLZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H18N2O2/c1-13(21)19-16-10-8-15(9-11-16)18(22)20-12-4-6-14-5-2-3-7-17(14)20/h2-3,5,7-11H,4,6,12H2,1H3,(H,19,21)
PubChem CID	669479
ChEMBL	CHEMBL331956
IUPHAR	N/A
BindingDB	50052917
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	74000.0 nM	PMID8784453	BindingDB,ChEMBL

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