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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	CHEMBL3354599
Molecular formula	C49H71N11O11S
IUPAC name	(4S,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-N-[2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-10-(3-amino-3-oxopropyl)-16-benzyl-13-[(2S)-butan-2-yl]-6,9,12,15,18-pentaoxo-N-(2-phenylethyl)-1-thia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular weight	1022.23
Hydrogen bond acceptor	12
Hydrogen bond donor	10
XlogP	0.3
Synonyms	BDBM50044681
Inchi Key	CDKBANBBMSNGHU-YKEMCRMISA-N
Inchi ID	InChI=1S/C49H71N11O11S/c1-5-30(4)43-48(70)56-33(16-17-38(50)61)45(67)58-37(26-39(51)62)46(68)57-34(19-22-72-23-20-41(64)54-36(47(69)59-43)25-32-14-10-7-11-15-32)49(71)60(21-18-31-12-8-6-9-13-31)28-42(65)55-35(24-29(2)3)44(66)53-27-40(52)63/h6-15,29-30,33-37,43H,5,16-28H2,1-4H3,(H2,50,61)(H2,51,62)(H2,52,63)(H,53,66)(H,54,64)(H,55,65)(H,56,70)(H,57,68)(H,58,67)(H,59,69)/t30-,33-,34-,35-,36-,37-,43-/m0/s1
PubChem CID	118720287
ChEMBL	CHEMBL3354599
IUPHAR	N/A
BindingDB	50044681
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	3000.0 nM	PMID24874785	BindingDB,ChEMBL
Efficacy	>70.0 %	PMID24874785	ChEMBL

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