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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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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	CHEMBL324935
Molecular formula	C20H22N2O2
IUPAC name	N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2-methylpropanamide
Molecular weight	322.408
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	3.5
Synonyms	AC1NP4X1 N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2-methylpropanamide SCHEMBL7358212 2-methyl-N-[4-(1,2,3,4-tetrahydroquinolylcarbonyl)phenyl]propanamide MolPort-001-585-736 ZINC4694491 AKOS003344508 N-[4-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)phenyl]-2-methylpropanamide ST50631181 N-[4-(3,4-Dihydro-2H-quinoline-1-carbonyl)-phenyl]-isobutyramide BDBM50052952 N-{4-[3,4-dihydro-1(2H)-quinolinylcarbonyl]phenyl}-2-methylpropanamide MCULE-9808161924 STK151426 [ Show all ]
Inchi Key	GSJBILDUFGGDEH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H22N2O2/c1-14(2)19(23)21-17-11-9-16(10-12-17)20(24)22-13-5-7-15-6-3-4-8-18(15)22/h3-4,6,8-12,14H,5,7,13H2,1-2H3,(H,21,23)
PubChem CID	5099582
ChEMBL	CHEMBL324935
IUPHAR	N/A
BindingDB	50052952
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	2400.0 nM	PMID8784453	BindingDB,ChEMBL

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