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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 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	CHEMBL136644
Molecular formula	C20H21ClN2O
IUPAC name	[2-chloro-4-(prop-2-enylamino)phenyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
Molecular weight	340.851
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	4.9
Synonyms	3-Chloro-4-(2,3,4,5-tetrahydro-1H-1-benzazepine-1-ylcarbonyl)-N-allylaniline (4-Allylamino-2-chloro-phenyl)-(2,3,4,5-tetrahydro-benzo[b]azepin-1-yl)-methanone BDBM50094086
Inchi Key	COHQROKUENHYIT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H21ClN2O/c1-2-12-22-16-10-11-17(18(21)14-16)20(24)23-13-6-5-8-15-7-3-4-9-19(15)23/h2-4,7,9-11,14,22H,1,5-6,8,12-13H2
PubChem CID	10831068
ChEMBL	CHEMBL136644
IUPHAR	N/A
BindingDB	50094086
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	5.9 nM	PMID11087564	BindingDB,ChEMBL
PMA	19.9 %	PMID11087564	ChEMBL

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