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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	SMR000624799
Molecular formula	C17H22ClN3O5S3
IUPAC name	2-[4-[4-(4-chlorophenyl)sulfonyl-2-ethylsulfonyl-1,3-thiazol-5-yl]piperazin-1-yl]ethanol
Molecular weight	480.009
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	2.2
Synonyms	AKOS001867663 MLS003880478 2-{4-[4-(4-chlorobenzenesulfonyl)-2-(ethanesulfonyl)-1,3-thiazol-5-yl]piperazin-1-yl}ethan-1-ol CHEMBL1506053 ST50812416 ZINC20414497 863450-10-6 MCULE-2848210096 CCG-140277 MolPort-003-048-650 STL011724 2-{4-[4-[(4-chlorophenyl)sulfonyl]-2-(ethylsulfonyl)-1,3-thiazol-5-yl]piperazin-1-yl}ethanol HMS1630C18 AB00851022-06 MLS001110802 2-(4-{4-[(4-chlorophenyl)sulfonyl]-2-(ethylsulfonyl)-1,3-thiazol-5-yl}piperazin-1-yl)ethanol Z440829516 4-[(4-chlorophenyl)sulfonyl]-2-(ethylsulfonyl)-5-[4-(2-hydroxyethyl)piperaziny l]-1,3-thiazole HMS2958K04 [ Show all ]
Inchi Key	FBVBNYPBBUIBRN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H22ClN3O5S3/c1-2-28(23,24)17-19-15(29(25,26)14-5-3-13(18)4-6-14)16(27-17)21-9-7-20(8-10-21)11-12-22/h3-6,22H,2,7-12H2,1H3
PubChem CID	20888797
ChEMBL	CHEMBL1506053
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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