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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	2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-(2-morpholinoethyl)acetamide
Molecular formula	C20H21N3O4
IUPAC name	2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
Molecular weight	367.405
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	1.2
Synonyms	AKOS000805915 F0223-0043 ST50507426 CBMicro_027498 MLS000856024 325851-02-3 CHEMBL1408014 SR-01000505199 BAS 00791809 HMS2685O12 STK806590 2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-[2-(morpholin-4-yl)ethyl]acetamide CCG-113587 MolPort-000-691-592 AC1MEQSG EU-0080329 SR-01000505199-1 2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-(2-morpholin-4-ylethyl)acetamide BIM-0027336.P001 MCULE-8812550287 ZINC19757674 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(2-morpholin-4-ylethyl)acetamide SMR000286469 [ Show all ]
Inchi Key	ABZVMHMVMBBBNX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H21N3O4/c24-17(21-7-8-22-9-11-27-12-10-22)13-23-19(25)15-5-1-3-14-4-2-6-16(18(14)15)20(23)26/h1-6H,7-13H2,(H,21,24)
PubChem CID	2859630
ChEMBL	CHEMBL1408014
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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