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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	AC1LCZ0G
Molecular formula	C12H10Br2N2OS
IUPAC name	N-(1,3-benzothiazol-2-yl)-2,2-dibromo-1-methylcyclopropane-1-carboxamide
Molecular weight	390.093
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.8
Synonyms	A2007/0084294 EU-0035727 N-(1,3-Benzothiazol-2-yl)-2,2-dibromo-1-methylcyclopropanecarboxamide AKOS022163714 MLS001194813 N-benzothiazol-2-yl(2,2-dibromo-1-methylcyclopropyl)carboxamide CHEMBL1411818 N-(1,3-benzothiazol-2-yl)-2,2-dibromo-1-methyl-1-cyclopropanecarboxamide STK204840 HMS2873A08 N-(1,3-Benzothiazol-2-yl)-2,2-dibromo-1-methylcyclopropanecarboxamide # BQUFNWKWHJFATH-UHFFFAOYSA-N MLS001194813-02 SMR000554830 Cyclopropanecarboxamide, 2,2-dibromo-1-methyl-N-(2-benzothiazolyl)- N-(1,3-benzothiazol-2-yl)-2,2-dibromo-1-methylcyclopropane-1-carboxamide AKOS001606731 MCULE-9114711013 N-1,3-benzothiazol-2-yl-2,2-dibromo-1-methylcyclopropanecarboxamide MolPort-002-155-020 ST094788 [ Show all ]
Inchi Key	BQUFNWKWHJFATH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H10Br2N2OS/c1-11(6-12(11,13)14)9(17)16-10-15-7-4-2-3-5-8(7)18-10/h2-5H,6H2,1H3,(H,15,16,17)
PubChem CID	609181
ChEMBL	CHEMBL1411818
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	27522.7 nM	PubChem BioAssay data set	ChEMBL

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