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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	CHEMBL165554
Molecular formula	C31H25N3O5S
IUPAC name	9-[4-[(2-phenylbenzoyl)amino]benzoyl]-3,9-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene-2-sulfonic acid
Molecular weight	551.617
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	4.4
Synonyms	6-{4-[(Biphenyl-2-carbonyl)-amino]-benzoyl}-3,4,5,6-tetrahydro-1H-azepino[4,3,2-cd]indole-2-sulfonic acid SCHEMBL6631849 AUWVYYFTMWCNTN-UHFFFAOYSA-N 6-[4-[[(2-Biphenyl-)carbonyl]amino]benzoyl]-3,4,5,6-tetrahydro-1H-azepino[4,3,2-cd]indole-2-sulfonic acid BDBM50125108 N-[4-(2-Sulfo-3,4,5,6-tetrahydro-1H-azepino[4,3,2-cd]indole-6-ylcarbonyl)phenyl]-2-phenylbenzamide [ Show all ]
Inchi Key	AUWVYYFTMWCNTN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C31H25N3O5S/c35-29(24-11-5-4-10-23(24)20-8-2-1-3-9-20)32-22-17-15-21(16-18-22)31(36)34-19-7-12-25-28-26(13-6-14-27(28)34)33-30(25)40(37,38)39/h1-6,8-11,13-18,33H,7,12,19H2,(H,32,35)(H,37,38,39)
PubChem CID	9850567
ChEMBL	CHEMBL165554
IUPHAR	N/A
BindingDB	50125108
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	13.0 nM	PMID12639574	BindingDB,ChEMBL

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