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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	CHEMBL1817692
Molecular formula	C41H63N13O11S2
IUPAC name	(2S)-N-[(2S)-5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7,10-bis(2-amino-2-oxoethyl)-16-benzyl-13-[(2S)-butan-2-yl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
Molecular weight	978.155
Hydrogen bond acceptor	15
Hydrogen bond donor	12
XlogP	-4.5
Synonyms	BDBM50350839
Inchi Key	DFJXMBVISWEOGV-VIZGXHJBSA-N
Inchi ID	InChI=1S/C41H63N13O11S2/c1-3-21(2)33-40(64)51-27(17-31(45)56)36(60)50-26(16-30(44)55)37(61)52-28(20-67-66-19-23(43)34(58)49-25(38(62)53-33)15-22-9-5-4-6-10-22)41(65)54-14-8-12-29(54)39(63)48-24(11-7-13-42)35(59)47-18-32(46)57/h4-6,9-10,21,23-29,33H,3,7-8,11-20,42-43H2,1-2H3,(H2,44,55)(H2,45,56)(H2,46,57)(H,47,59)(H,48,63)(H,49,58)(H,50,60)(H,51,64)(H,52,61)(H,53,62)/t21-,23-,24-,25-,26-,27-,28-,29-,33-/m0/s1
PubChem CID	53362203
ChEMBL	CHEMBL1817692
IUPHAR	N/A
BindingDB	50350839
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<10000.0 nM	PMID21688787	BindingDB,ChEMBL

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