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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.
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.
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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	SCHEMBL7294905 BDBM50045134 N-(4-{4-[4-(2-Oxo-3,4-dihydro-2H-quinolin-1-yl)-piperidine-1-carbonyl]-phenoxy}-butyl)-acetamide
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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