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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	CHEMBL512349
Molecular formula	C31H42N4O4
IUPAC name	(2S,4R)-2-N,2-N-dimethyl-4-[(2-methylpropan-2-yl)oxy]-1-N-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide
Molecular weight	534.701
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.8
Synonyms	BDBM50246610 (4R)-4-tert-Butoxyoxy-1-(2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-ylcarbonyl)benzylcarbamoyl)-L-proline-N,N-dimethylamide
Inchi Key	CCXZWQXMMYBATC-VPUSJEBWSA-N
Inchi ID	InChI=1S/C31H42N4O4/c1-21-17-23(28(36)34-16-10-9-12-22-11-7-8-13-26(22)34)14-15-24(21)19-32-30(38)35-20-25(39-31(2,3)4)18-27(35)29(37)33(5)6/h7-8,11,13-15,17,25,27H,9-10,12,16,18-20H2,1-6H3,(H,32,38)/t25-,27+/m1/s1
PubChem CID	25178959
ChEMBL	CHEMBL512349
IUPHAR	N/A
BindingDB	50246610
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	46.0 nM	PMID19053774	BindingDB,ChEMBL

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