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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL60096
Molecular formula	C27H33N3O4
IUPAC name	N-[4-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]butyl]acetamide
Molecular weight	463.578
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.0
Synonyms	BDBM50045134 N-(4-{4-[4-(2-Oxo-3,4-dihydro-2H-quinolin-1-yl)-piperidine-1-carbonyl]-phenoxy}-butyl)-acetamide SCHEMBL7294905
Inchi Key	DVMXTWCHCARTQS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H33N3O4/c1-20(31)28-16-4-5-19-34-24-11-8-22(9-12-24)27(33)29-17-14-23(15-18-29)30-25-7-3-2-6-21(25)10-13-26(30)32/h2-3,6-9,11-12,23H,4-5,10,13-19H2,1H3,(H,28,31)
PubChem CID	14969552
ChEMBL	CHEMBL60096
IUPHAR	N/A
BindingDB	50045134
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	210.0 nM	PMID8393113	BindingDB,ChEMBL
ID50	5.3 umol.kg-1	PMID8393113	ChEMBL
Inhibition	78.0 %	PMID8393113	ChEMBL

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