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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)-(4-hydroxy-3-methoxyphenyl)methylidene]acetohydrazide
Molecular formula	C17H18N6O5
IUPAC name	2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
Molecular weight	386.368
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	0.2
Synonyms	374677-44-8 N-[(1E)-2-(4-hydroxy-3-methoxyphenyl)-1-azavinyl]-2-(1,3-dimethyl-2,6-dioxo(1, 3,7-trihydropurin-7-yl))acetamide AKOS002175031 STK036928 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N'-[(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]acetohydrazide MLS000778128 AC1NZSYY SMR000414522 (1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-acetic acid [1-(4-hydroxy-3-methoxy-phenyl)-meth-(E)-ylidene]-hydrazide 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N'-[(E)-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]acetohydrazide MolPort-000-442-962 AC1OAGNS ST50061607 CHEMBL1979668 [ Show all ]
Inchi Key	ALUYWDYRWYPVTP-FBCYGCLPSA-N
Inchi ID	InChI=1S/C17H18N6O5/c1-21-15-14(16(26)22(2)17(21)27)23(9-18-15)8-13(25)20-19-7-10-4-5-11(24)12(6-10)28-3/h4-7,9,24H,8H2,1-3H3,(H,20,25)/b19-7+
PubChem CID	135641876
ChEMBL	CHEMBL1979668
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	24529.7 nM	PubChem BioAssay data set	ChEMBL

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