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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	CHEMBL1085624
Molecular formula	C35H32ClNOS
IUPAC name	[4-[4-(1-benzothiophen-3-yl)naphthalen-1-yl]-2-chlorophenyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
Molecular weight	550.157
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	10.1
Synonyms	(4-(4-(benzo[b]thiophen-3-yl)naphthalen-1-yl)-2-chlorophenyl)((1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone BDBM50319813
Inchi Key	BCEXGBPLTOYCHO-JEHQLEFQSA-N
Inchi ID	InChI=1S/C35H32ClNOS/c1-34(2)17-23-18-35(3,20-34)21-37(23)33(38)29-13-12-22(16-31(29)36)24-14-15-27(26-9-5-4-8-25(24)26)30-19-39-32-11-7-6-10-28(30)32/h4-16,19,23H,17-18,20-21H2,1-3H3/t23-,35-/m1/s1
PubChem CID	46890185
ChEMBL	CHEMBL1085624
IUPHAR	N/A
BindingDB	50319813
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	21.0 nM	PMID20471258	BindingDB,ChEMBL

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