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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	BAS 09528148
Molecular formula	C10H14N2O2S
IUPAC name	N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-methylpropanamide
Molecular weight	226.294
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	1.9
Synonyms	N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-methylpropanamide SMR000121950 AB00461305-03 HMS2314O16 ST063584 MolPort-002-014-965 CHEMBL1451957 N-(5-Acetyl-4-methyl-thiazol-2-yl)-isobutyramide SR-01000368279 AC1LEE1X MCULE-6046061731 ZINC150318 CHEBI:122005 N-(5-acetyl-4-methyl(1,3-thiazol-2-yl))-2-methylpropanamide 391219-71-9 F0060-0055 N-(5-acetyl-4-methylthiazol-2-yl)isobutyramide SR-01000368279-1 AKOS000538547 MLS000529475 [ Show all ]
Inchi Key	ANFXSJDPGZAMEP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H14N2O2S/c1-5(2)9(14)12-10-11-6(3)8(15-10)7(4)13/h5H,1-4H3,(H,11,12,14)
PubChem CID	734580
ChEMBL	CHEMBL1451957
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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