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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	MLS000098572
Molecular formula	C18H20N4O3S
IUPAC name	2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Molecular weight	372.443
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.2
Synonyms	MLS002633432 2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)ethanamide AKOS002497922 Z19416040 2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-N-(5-methyl-3-isoxazolyl)acetamide CHEMBL1466287 MCULE-3390934104 AB00422538-05 MolPort-004-113-795 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide BDBM54966 cid_2609971 ZINC3492728 2-[(3-butyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide AC1M9IHU SMR000064948 2-[(3-butyl-4-keto-quinazolin-2-yl)thio]-N-(5-methylisoxazol-3-yl)acetamide HMS2436B24 867274-48-4 [ Show all ]
Inchi Key	GXKVQFZVXGSINN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H20N4O3S/c1-3-4-9-22-17(24)13-7-5-6-8-14(13)19-18(22)26-11-16(23)20-15-10-12(2)25-21-15/h5-8,10H,3-4,9,11H2,1-2H3,(H,20,21,23)
PubChem CID	2609971
ChEMBL	CHEMBL1466287
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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