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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	CHEMBL333139
Molecular formula	C23H20N2O2
IUPAC name	N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide
Molecular weight	356.425
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	4.2
Synonyms	BDBM50052940 N-[4-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)phenyl]benzamide STK873884 N-[4-(1,2,3,4-Tetrahydroquinoline-1-ylcarbonyl)phenyl]benzamide BOWXEPIUZVMXHM-UHFFFAOYSA-N N~1~-{4-[3,4-dihydro-1(2H)-quinolinylcarbonyl]phenyl}benzamide 1-[4-(benzoylamino)benzoyl-]-1,2,3,4-tetrahydroquinoline MCULE-5268672558 ZINC10461620 AKOS005612437 N-[4-(3,4-Dihydro-2H-quinoline-1-carbonyl)-phenyl]-benzamide SCHEMBL7345982 1-[4-(benzoylamino)benzoyl]-1,2,3,4-tetrahydroquinoline MolPort-008-324-055 [ Show all ]
Inchi Key	BOWXEPIUZVMXHM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H20N2O2/c26-22(18-8-2-1-3-9-18)24-20-14-12-19(13-15-20)23(27)25-16-6-10-17-7-4-5-11-21(17)25/h1-5,7-9,11-15H,6,10,16H2,(H,24,26)
PubChem CID	10642000
ChEMBL	CHEMBL333139
IUPHAR	N/A
BindingDB	50052940
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	1600.0 nM	PMID8784453	BindingDB,ChEMBL

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