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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	MLS000417683
Molecular formula	C22H24N4O3S2
IUPAC name	N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide
Molecular weight	456.579
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.6
Synonyms	cid_5110655 N-(2-methyl-5-piperidinosulfonyl-phenyl)-2-(quinazolin-4-ylthio)acetamide AC1NOC55 SMR000242756 N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-2-quinazolin-4-ylsulfanyl-ethanamide HMS2530A24 N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-2-(4-quinazolinylthio)acetamide AKOS000870728 MLS003914044 Z19315064 CHEMBL1519696 N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide 721890-15-9 MCULE-8009818766 N-[2-methyl-5-(piperidine-1-sulfonyl)phenyl]-2-(quinazolin-4-ylsulfanyl)acetamide BDBM114351 MolPort-004-009-905 ZINC8696091 [ Show all ]
Inchi Key	DGAKDVIAOVPIHJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H24N4O3S2/c1-16-9-10-17(31(28,29)26-11-5-2-6-12-26)13-20(16)25-21(27)14-30-22-18-7-3-4-8-19(18)23-15-24-22/h3-4,7-10,13,15H,2,5-6,11-12,14H2,1H3,(H,25,27)
PubChem CID	5110655
ChEMBL	CHEMBL1519696
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	17324.5 nM	PubChem BioAssay data set	ChEMBL

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