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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	CHEMBL3964694
Molecular formula	C22H21Cl2F3N6O4
IUPAC name	N-[2-(carbamoylamino)-2-(2-chlorophenyl)ethyl]-2-[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetamide
Molecular weight	561.343
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	2.6
Synonyms	US9180120, 33 BDBM190329 SCHEMBL15206554
Inchi Key	BDGLQVVZHIRVPK-DJNXLDHESA-N
Inchi ID	InChI=1S/C22H21Cl2F3N6O4/c23-13-7-5-12(6-8-13)19-31-33(21(37)32(19)10-17(34)22(25,26)27)11-18(35)29-9-16(30-20(28)36)14-3-1-2-4-15(14)24/h1-8,16-17,34H,9-11H2,(H,29,35)(H3,28,30,36)/t16?,17-/m0/s1
PubChem CID	56848555
ChEMBL	CHEMBL3964694
IUPHAR	N/A
BindingDB	190329
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	8.0 nM	, None	BindingDB,ChEMBL

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