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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	CHEMBL1684553
Molecular formula	C25H30N4O5
IUPAC name	2-[2-(3-methoxyphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-methylacetamide
Molecular weight	466.538
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	1.8
Synonyms	BDBM50338790 2-(2-(3-methoxyphenyl)-6-(3-morpholinopropoxy)-4-oxoquinazolin-3(4H)-yl)-N-methylacetamide
Inchi Key	BZKVOBBYRMVGNZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H30N4O5/c1-26-23(30)17-29-24(18-5-3-6-19(15-18)32-2)27-22-8-7-20(16-21(22)25(29)31)34-12-4-9-28-10-13-33-14-11-28/h3,5-8,15-16H,4,9-14,17H2,1-2H3,(H,26,30)
PubChem CID	53324872
ChEMBL	CHEMBL1684553
IUPHAR	N/A
BindingDB	50338790
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	325.0 nM	PMID21353540	BindingDB,ChEMBL

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