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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	SCHEMBL6928123
Molecular formula	C22H17Cl2F3N6O4
IUPAC name	2-[5-(2-chlorophenyl)-3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-1-yl]acetic acid
Molecular weight	557.311
Hydrogen bond acceptor	10
Hydrogen bond donor	2
XlogP	3.9
Synonyms	[5-(2-Chlorophenyl)-3-({3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}methyl)-1H-1,2,4-triazol-1-yl]acetic acid US9187466, 60 BDBM192454 CHEMBL3981686 US9687476, 60 BWMSBDDWGDIHBZ-INIZCTEOSA-N [ Show all ]
Inchi Key	BWMSBDDWGDIHBZ-INIZCTEOSA-N
Inchi ID	InChI=1S/C22H17Cl2F3N6O4/c23-13-7-5-12(6-8-13)19-30-33(21(37)31(19)9-16(34)22(25,26)27)10-17-28-20(32(29-17)11-18(35)36)14-3-1-2-4-15(14)24/h1-8,16,34H,9-11H2,(H,35,36)/t16-/m0/s1
PubChem CID	53378731
ChEMBL	CHEMBL3981686
IUPHAR	N/A
BindingDB	192454
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	12.0 nM	, None	BindingDB,ChEMBL

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