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GLASS

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GPCR

Name	Vasopressin V2 receptor
Species	Homo sapiens (Human)
Gene	AVPR2
Synonym	AVPR V2 antidiuretic hormone receptor Renal-type arginine vasopressin receptor DIR3 ADHR V2 receptor V2R [ Show all ]
Disease	Euvolemic hyponatremia; Hypervolemic hyponatremia Enuresis; Polyuria; Diabetes insipidus Hypervolaemic hyponatraemia; Euvolaemic hyponatraemia Congestive heart failure Heart failure Nocturia Urinary incontinence Acute and chronic heart failure [ Show all ]
Length	371
Amino acid sequence	MLMASTTSAVPGHPSLPSLPSNSSQERPLDTRDPLLARAELALLSIVFVAVALSNGLVLAALARRGRRGHWAPIHVFIGHLCLADLAVALFQVLPQLAWKATDRFRGPDALCRAVKYLQMVGMYASSYMILAMTLDRHRAICRPMLAYRHGSGAHWNRPVLVAWAFSLLLSLPQLFIFAQRNVEGGSGVTDCWACFAEPWGRRTYVTWIALMVFVAPTLGIAACQVLIFREIHASLVPGPSERPGGRRRGRRTGSPGEGAHVSAAVAKTVRMTLVIVVVYVLCWAPFFLVQLWAAWDPEAPLEGAPFVLLMLLASLNSCTNPWIYASFSSSVSSELRSLLCCARGRTPPSLGPQDESCTTASSSLAKDTSS
UniProt	P30518
Protein Data Bank	N/A
GPCR-HGmod model	P30518
3D structure model	This predicted structure model is from GPCR-EXP P30518.
BioLiP	N/A
Therapeutic Target Database	T66237
ChEMBL	CHEMBL1790
IUPHAR	368
DrugBank	BE0000293

Ligand

Name	CHEMBL475128
Molecular formula	C27H32F2N4O3
IUPAC name	(2S)-1-N-[[4-(5,5-difluoro-3,4-dihydro-2H-1-benzazepine-1-carbonyl)-2-methylphenyl]methyl]-2-N,2-N-dimethylpyrrolidine-1,2-dicarboxamide
Molecular weight	498.575
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.4
Synonyms	1-(4-(5,5-Difluoro-2,3,4,5-tetrahydro-1-benzazepin-1-ylcarbonyl)-2-methylbenzylcarbamoyl)-Lproline-N,N-dimethylamide BDBM50246719
Inchi Key	BZKOKCITTQGGFF-QHCPKHFHSA-N
Inchi ID	InChI=1S/C27H32F2N4O3/c1-18-16-19(24(34)32-15-7-13-27(28,29)21-8-4-5-9-22(21)32)11-12-20(18)17-30-26(36)33-14-6-10-23(33)25(35)31(2)3/h4-5,8-9,11-12,16,23H,6-7,10,13-15,17H2,1-3H3,(H,30,36)/t23-/m0/s1
PubChem CID	25178962
ChEMBL	CHEMBL475128
IUPHAR	N/A
BindingDB	50246719
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	1700.0 nM	PMID19053774	BindingDB,ChEMBL

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