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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 V1b receptor
Species	Homo sapiens (Human)
Gene	AVPR1B
Synonym	AVPR3 Vasopressin V3 receptor vasopressin V1b receptor V3/V1b pituitary vasopressin receptor V3 V1bR V1B receptor Antidiuretic hormone receptor 1b AVPR V1b AVPR V3 VPR3 [ Show all ]
Disease	Anxiety disorder Major depressive disorder; Anxiety Major depressive disorder
Length	424
Amino acid sequence	MDSGPLWDANPTPRGTLSAPNATTPWLGRDEELAKVEIGVLATVLVLATGGNLAVLLTLGQLGRKRSRMHLFVLHLALTDLAVALFQVLPQLLWDITYRFQGPDLLCRAVKYLQVLSMFASTYMLLAMTLDRYLAVCHPLRSLQQPGQSTYLLIAAPWLLAAIFSLPQVFIFSLREVIQGSGVLDCWADFGFPWGPRAYLTWTTLAIFVLPVTMLTACYSLICHEICKNLKVKTQAWRVGGGGWRTWDRPSPSTLAATTRGLPSRVSSINTISRAKIRTVKMTFVIVLAYIACWAPFFSVQMWSVWDKNAPDEDSTNVAFTISMLLGNLNSCCNPWIYMGFNSHLLPRPLRHLACCGGPQPRMRRRLSDGSLSSRHTTLLTRSSCPATLSLSLSLTLSGRPRPEESPRDLELADGEGTAETIIF
UniProt	P47901
Protein Data Bank	N/A
GPCR-HGmod model	P47901
3D structure model	This predicted structure model is from GPCR-EXP P47901.
BioLiP	N/A
Therapeutic Target Database	T59881
ChEMBL	CHEMBL1921
IUPHAR	367
DrugBank	BE0000773

Ligand

Name	CHEMBL1221422
Molecular formula	C24H30ClN5O3
IUPAC name	2-[6-(3-chlorophenyl)-4-oxo-2-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyrazin-5-yl]-N-propan-2-ylacetamide
Molecular weight	471.986
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.5
Synonyms	BDBM50416661 SCHEMBL4305714
Inchi Key	AKDJMBHEZXZXTL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H30ClN5O3/c1-17(2)26-22(31)16-29-21(18-7-6-8-19(25)13-18)15-30-20(24(29)32)14-23(27-30)33-12-11-28-9-4-3-5-10-28/h6-8,13-15,17H,3-5,9-12,16H2,1-2H3,(H,26,31)
PubChem CID	44465987
ChEMBL	CHEMBL1221422
IUPHAR	N/A
BindingDB	50416661
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	316.23 nM	PMID20674355	BindingDB,ChEMBL

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