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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	SCHEMBL15988088
Molecular formula	C25H30ClFN6O3
IUPAC name	N-tert-butyl-2-[4-(3-chloro-4-fluorophenyl)-1-[5-(2-morpholin-4-ylethyl)pyridin-2-yl]-5-oxo-1,2,4-triazol-3-yl]acetamide
Molecular weight	517.002
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.0
Synonyms	BDBM260343 US9522914, D-32
Inchi Key	AYDHJTKSXURNLQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H30ClFN6O3/c1-25(2,3)29-23(34)15-22-30-33(24(35)32(22)18-5-6-20(27)19(26)14-18)21-7-4-17(16-28-21)8-9-31-10-12-36-13-11-31/h4-7,14,16H,8-13,15H2,1-3H3,(H,29,34)
PubChem CID	86581747
ChEMBL	N/A
IUPHAR	N/A
BindingDB	260343
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	17.0 nM	N/A	BindingDB

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