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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	Opc 21268
Molecular formula	C26H31N3O4
IUPAC name	N-[3-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]propyl]acetamide
Molecular weight	449.551
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.6
Synonyms	GTPL2196 N-[3-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]propyl]acetamide ZINC3796262 Acetamide, N-(3-(4-((4-(3,4-dihydro-2-oxo-1(2H)-quinolinyl)-1-piperidinyl)carbonyl)phenoxy)propyl)- CS-0003694 L001417 NCGC00370961-01 1-(1-(4-(3-Acetylaminopropoxy)benzoyl)-4-piperidyl)-3,4-dihydro-2(1H)-quinolinone B7537 D08ORO FT-0700164 N-(3-(4-(4-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)piperidine-1-carbonyl)phenoxy)propyl)acetamide OPC-21268 HY-15009 N-[3-[4-[[4-(3,4-dihydro-2-oxo-1(2H)-quinolinyl)-1-piperidinyl]carbonyl]phenoxy]propyl]acetamide ACMC-20mu6h CTK0H6673 DA-46083 LS-9216 131631-89-5 BCP14853 Fuscoside N-(3-{4-[4-(2-Oxo-3,4-dihydro-2H-quinolin-1-yl)-piperidine-1-carbonyl]-phenoxy}-propyl)-acetamide SCHEMBL3504368 AC1L3G6H CHEMBL296908 J-006031 N-[3-[4-[[4-(3,4-Dihydro-2-oxo-1(2H)quinolinyl)-1-piperidinyl]carbonyl]phenoxy]propyl]-acetamide AKOS024457877 D03QHK EX-A593 MolPort-023-276-994 OPC-1268 BDBM50029644 [ Show all ]
Inchi Key	KSNUCNRMDYJBKT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H31N3O4/c1-19(30)27-15-4-18-33-23-10-7-21(8-11-23)26(32)28-16-13-22(14-17-28)29-24-6-3-2-5-20(24)9-12-25(29)31/h2-3,5-8,10-11,22H,4,9,12-18H2,1H3,(H,27,30)
PubChem CID	114904
ChEMBL	CHEMBL296908
IUPHAR	2196
BindingDB	50029644
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	440.0 nM	PMID8393113	BindingDB
IC50	440.0 nM	PMID8393113	ChEMBL
ID50	4.4 umol.kg-1	PMID8393113	ChEMBL
Inhibition	93.0 %	PMID8393113	ChEMBL
Ki	14.9 nM	PMID9223568	BindingDB
Ki	23.5 nM	PMID9223568, PMID12036368, PMID11755361	BindingDB,ChEMBL
Ki	24.0 nM	PMID11755361	BindingDB
Ki	32.0 nM	PMID11087564, PMID7473590, PMID20550119	BindingDB,ChEMBL

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