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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	868968-75-6
Molecular formula	C20H18N6O3S
IUPAC name	N-(3,4-dimethoxyphenyl)-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
Molecular weight	422.463
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	2.0
Synonyms	MCULE-5889066870 AKOS024612799 N-(3,4-dimethoxyphenyl)-2-((3-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetamide F1835-0281 MLS001232862 SMR000806351 HMS2976F22 MolPort-003-077-566 CHEMBL1326698 ZINC9599820 [ Show all ]
Inchi Key	ABSPPERXNFIADP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H18N6O3S/c1-28-15-6-5-14(10-16(15)29-2)22-18(27)12-30-19-8-7-17-23-24-20(26(17)25-19)13-4-3-9-21-11-13/h3-11H,12H2,1-2H3,(H,22,27)
PubChem CID	16825458
ChEMBL	CHEMBL1326698
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	43620.6 nM	PubChem BioAssay data set	ChEMBL

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