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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	CHEMBL372766
Molecular formula	C25H18F2N2O
IUPAC name	[4-(3,5-difluorophenyl)phenyl]-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)methanone
Molecular weight	400.429
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	4.7
Synonyms	SCHEMBL7314707 (5H,11H-Benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)-(3'',5''-difluoro-biphenyl-4-yl)-methanone BDBM50173299 10,11-Dihydro-10-[4-(3,5-difluorophenyl)benzoyl]-5H-pyrrolo[2,1-c][1,4]benzodiazepine BLTYNERWSWSLRZ-UHFFFAOYSA-N L014909 [ Show all ]
Inchi Key	BLTYNERWSWSLRZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H18F2N2O/c26-21-12-20(13-22(27)14-21)17-7-9-18(10-8-17)25(30)29-16-23-5-3-11-28(23)15-19-4-1-2-6-24(19)29/h1-14H,15-16H2
PubChem CID	22405331
ChEMBL	CHEMBL372766
IUPHAR	N/A
BindingDB	50173299
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	2500.0 nM	PMID16153837	BindingDB,ChEMBL

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