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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	MLS000888996
Molecular formula	C18H15Cl2N3O4
IUPAC name	2-(4-amino-3,5-dichlorophenyl)-3-hydroxy-N-(2-hydroxyethyl)-4-oxo-1H-quinoline-7-carboxamide
Molecular weight	408.235
Hydrogen bond acceptor	6
Hydrogen bond donor	5
XlogP	2.2
Synonyms	2-(4-Amino-3,5-dichloro-phenyl)-3-hydroxy-4-oxo-1,4-dihydro-quinoline-7-carboxylic acid (2-hydroxy-ethyl)-amide SR-01000802504 HMS2224O20 N-(2-Hydroxyethyl)-2-(3,5-dichloro-4-aminophenyl)-3-hydroxy-4-oxo-1,4-dihydroquinoline-7-carboxamide SR-01000802504-2 HMS3346N08 SMR000673921 CHEMBL1479302 [ Show all ]
Inchi Key	HFXHZBSCKHKLQF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H15Cl2N3O4/c19-11-5-9(6-12(20)14(11)21)15-17(26)16(25)10-2-1-8(7-13(10)23-15)18(27)22-3-4-24/h1-2,5-7,24,26H,3-4,21H2,(H,22,27)(H,23,25)
PubChem CID	24819115
ChEMBL	CHEMBL1479302
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	34649.1 nM	PubChem BioAssay data set	ChEMBL

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