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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	CHEMBL3954357
Molecular formula	C21H23ClF3N5O5S2
IUPAC name	2-[3-(5-chlorothiophen-2-yl)-4-(2-methoxyethyl)-5-oxo-1,2,4-triazol-1-yl]-N-[2-(methanesulfonamido)-2-[2-(trifluoromethyl)phenyl]ethyl]acetamide
Molecular weight	582.01
Hydrogen bond acceptor	11
Hydrogen bond donor	2
XlogP	2.9
Synonyms	BDBM190365 SCHEMBL10090058 2-[3-(5-Chloro-2-thienyl)-4-(2-methoxyethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-N-{2-[(methylsulphonyl)amino]-2-[2-(trifluoromethyl)phenyl]ethyl}acetamide US9180120, 69 AUMJITSEKJGFAI-UHFFFAOYSA-N
Inchi Key	AUMJITSEKJGFAI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H23ClF3N5O5S2/c1-35-10-9-29-19(16-7-8-17(22)36-16)27-30(20(29)32)12-18(31)26-11-15(28-37(2,33)34)13-5-3-4-6-14(13)21(23,24)25/h3-8,15,28H,9-12H2,1-2H3,(H,26,31)
PubChem CID	56848687
ChEMBL	CHEMBL3954357
IUPHAR	N/A
BindingDB	190365
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	3500.0 nM	, None	BindingDB,ChEMBL

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