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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	CHEMBL1643587
Molecular formula	C28H37N3O3S2
IUPAC name	N-cyclopentyl-N-[[2-[4-[(2,2-dimethylpropylamino)methyl]phenyl]-1,3-thiazol-4-yl]methyl]-4-methoxybenzenesulfonamide
Molecular weight	527.742
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	5.6
Synonyms	BDBM50417691
Inchi Key	AIIRTNRFIHOHNN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H37N3O3S2/c1-28(2,3)20-29-17-21-9-11-22(12-10-21)27-30-23(19-35-27)18-31(24-7-5-6-8-24)36(32,33)26-15-13-25(34-4)14-16-26/h9-16,19,24,29H,5-8,17-18,20H2,1-4H3
PubChem CID	53316695
ChEMBL	CHEMBL1643587
IUPHAR	N/A
BindingDB	50417691
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	100.0 nM	PMID21146408	BindingDB,ChEMBL

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