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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	MLS000686201
Molecular formula	C17H18N6O2S
IUPAC name	N-(oxolan-2-ylmethyl)-2-[(6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide
Molecular weight	370.431
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	1.0
Synonyms	HMS2750C17 894055-96-0 MolPort-003-127-153 CHEMBL1544280 MCULE-4350073561 AKOS024654256 SMR000324239 F2507-0290 2-((6-(pyridin-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide [ Show all ]
Inchi Key	AAQYLQAZDRXQKV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H18N6O2S/c24-16(19-10-12-4-3-9-25-12)11-26-17-21-20-15-7-6-14(22-23(15)17)13-5-1-2-8-18-13/h1-2,5-8,12H,3-4,9-11H2,(H,19,24)
PubChem CID	16194809
ChEMBL	CHEMBL1544280
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Potency	19438.4 nM	PubChem BioAssay data set	ChEMBL

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