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GLASS

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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	MLS001232852
Molecular formula	C20H18N6O2S
IUPAC name	N-(4-ethoxyphenyl)-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
Molecular weight	406.464
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	2.4
Synonyms	HMS2976F18 N-p-phenetyl-2-[[3-(3-pyridyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]acetamide 868968-72-3 BDBM91142 MolPort-003-077-563 cid_7190688 N-(4-ethoxyphenyl)-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanamide MCULE-4084266385 SMR000806350 AC1OHQB6 N-(4-ethoxyphenyl)-2-((3-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetamide F1835-0278 N-(4-ethoxyphenyl)-2-[[3-(3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]acetamide ZINC4327709 AKOS024612796 CHEMBL1344377 N-(4-ethoxyphenyl)-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide [ Show all ]
Inchi Key	FTZHMJZKHMDGMQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H18N6O2S/c1-2-28-16-7-5-15(6-8-16)22-18(27)13-29-19-10-9-17-23-24-20(26(17)25-19)14-4-3-11-21-12-14/h3-12H,2,13H2,1H3,(H,22,27)
PubChem CID	7190688
ChEMBL	CHEMBL1344377
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	38876.9 nM	PubChem BioAssay data set	ChEMBL

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