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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	CHEMBL318083
Molecular formula	C35H39FN4O3
IUPAC name	N-[3-(dimethylamino)propyl]-1-[4-[(5-fluoro-2-methylbenzoyl)amino]benzoyl]spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclopentene]-1'-carboxamide
Molecular weight	582.72
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	5.5
Synonyms	BDBM50147227 3''N-(3-dimethylaminopropyl)-1-[4-(5-fluoro-2-methylphenylcarboxamido)benzoyl]spiro[2,3,4,5-tetrahydro-1H-benzo[b]azepine-4,1''-(2''-cyclopentene)]-3''-carboxamide
Inchi Key	BZWQFQJYEATIKN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C35H39FN4O3/c1-24-9-12-28(36)21-30(24)33(42)38-29-13-10-25(11-14-29)34(43)40-20-17-35(22-26-7-4-5-8-31(26)40)16-15-27(23-35)32(41)37-18-6-19-39(2)3/h4-5,7-14,21,23H,6,15-20,22H2,1-3H3,(H,37,41)(H,38,42)
PubChem CID	44336379
ChEMBL	CHEMBL318083
IUPHAR	N/A
BindingDB	50147227
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
IC50	23.0 nM	PMID15149662	BindingDB,ChEMBL
IC50	31.0 nM	PMID15149662	BindingDB,ChEMBL

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