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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	MLS001116679
Molecular formula	C21H23N3O5S
IUPAC name	6-[[4-methoxy-3-(3-methylpiperidin-1-yl)sulfonylphenyl]methyl]pyrrolo[3,4-b]pyridine-5,7-dione
Molecular weight	429.491
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	2.1
Synonyms	MCULE-6702202959 AKOS001951062 SMR000630000 CHEMBL1400119 AKOS021655907 HMS2961B14 6-{4-methoxy-3-[(3-methylpiperidin-1-yl)sulfonyl]benzyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione MolPort-007-771-471 [ Show all ]
Inchi Key	BXCKPIDAKTWCDG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H23N3O5S/c1-14-5-4-10-23(12-14)30(27,28)18-11-15(7-8-17(18)29-2)13-24-20(25)16-6-3-9-22-19(16)21(24)26/h3,6-9,11,14H,4-5,10,12-13H2,1-2H3
PubChem CID	20923127
ChEMBL	CHEMBL1400119
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	8682.8 nM	PubChem BioAssay data set	ChEMBL

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