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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	AC1MQQCV
Molecular formula	C21H23N5O6S
IUPAC name	N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
Molecular weight	473.504
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	1.9
Synonyms	MCULE-7945339116 ZINC12539572 N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(7-nitro-4-oxo-3,4-dihydroquinazolin-3-yl)acetamide CHEMBL1562557 SMR000369701 MLS000760435 AKOS033475157 N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide HMS2709B04 Z16226667 784196-60-7 MolPort-004-276-077 SCHEMBL2999223 [ Show all ]
Inchi Key	AJSHSVUJADXRFD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H23N5O6S/c1-4-25(5-2)33(31,32)16-8-6-14(3)18(11-16)23-20(27)12-24-13-22-19-10-15(26(29)30)7-9-17(19)21(24)28/h6-11,13H,4-5,12H2,1-3H3,(H,23,27)
PubChem CID	3505859
ChEMBL	CHEMBL1562557
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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