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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-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-[(E)-(3-methoxyphenyl)methylidene]acetohydrazide
Molecular formula	C17H18N6O4
IUPAC name	2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(E)-(3-methoxyphenyl)methylideneamino]acetamide
Molecular weight	370.369
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	0.6
Synonyms	315218-07-6 SR-01000081074-1 CHEMBL1980603 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-[(1E)-(3-methoxyphenyl)methylene]acetohydrazide SMR000431488 AKOS001614573 STL362270 MLS000768187 SR-01000081074 (1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-acetic acid [1-(3-methoxy-phenyl)-meth-(E)-ylidene]-hydrazide MolPort-001-809-646 [ Show all ]
Inchi Key	FTZXWGISOMKGDH-UFWORHAWSA-N
Inchi ID	InChI=1S/C17H18N6O4/c1-21-15-14(16(25)22(2)17(21)26)23(10-18-15)9-13(24)20-19-8-11-5-4-6-12(7-11)27-3/h4-8,10H,9H2,1-3H3,(H,20,24)/b19-8+
PubChem CID	9560158
ChEMBL	CHEMBL1980603
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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