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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	AC1NIO8B
Molecular formula	C22H26N4O4S
IUPAC name	3-cyano-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]benzamide
Molecular weight	442.534
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	2.1
Synonyms	3-cyano-N-[5-(diethylsulfamoyl)-2-(morpholin-4-yl)phenyl]benzamide MCULE-8705843203 AB00598780-06 SMR000369154 3-cyano-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]benzamide MLS001002694 Z26534207 CHEMBL1465419 794545-69-0 MolPort-004-280-647 AKOS033967145 ZINC9493990 [ Show all ]
Inchi Key	HADQBIPLYUFVCR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H26N4O4S/c1-3-26(4-2)31(28,29)19-8-9-21(25-10-12-30-13-11-25)20(15-19)24-22(27)18-7-5-6-17(14-18)16-23/h5-9,14-15H,3-4,10-13H2,1-2H3,(H,24,27)
PubChem CID	4834173
ChEMBL	CHEMBL1465419
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	47269.0 nM	PubChem BioAssay data set	ChEMBL

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