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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
Molecular formula	C15H21N5O3
IUPAC name	N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
Molecular weight	319.365
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	0.8
Synonyms	41838-16-8 MLS001079022 SCHEMBL10279695 BAS 01129982 N-Cyclohexyl-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-acetamide SR-01000432240-1 HMS2969B11 Oprea1_102300 Z19358327 AC1LFBKM MolPort-000-804-699 SMR000711000 N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide ST50719036 2-(1,3-dimethyl-2,6-dioxo(1,3,7-trihydropurin-7-yl))-N-cyclohexylacetamide MCULE-4973234518 Oprea1_402681 ZINC263593 AKOS000677429 SR-01000432240 CHEMBL1541812 N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide STK090688 [ Show all ]
Inchi Key	FQXXUVFUWQGLPR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H21N5O3/c1-18-13-12(14(22)19(2)15(18)23)20(9-16-13)8-11(21)17-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H,17,21)
PubChem CID	775376
ChEMBL	CHEMBL1541812
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	48943.1 nM	PubChem BioAssay data set	ChEMBL

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