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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL1779229
Molecular formula	C25H35N3O4S
IUPAC name	4-methoxy-2,3,6-trimethyl-N-[(2S)-1-(4-methyl-1,4-diazepan-1-yl)-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
Molecular weight	473.632
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.6
Synonyms	BDBM50345076 (S)-4-methoxy-2,3,6-trimethyl-N-(1-(4-methyl-1,4-diazepan-1-yl)-1-oxo-3-phenylpropan-2-yl)benzenesulfonamide
Inchi Key	BALQDBLVCCRDSJ-QFIPXVFZSA-N
Inchi ID	InChI=1S/C25H35N3O4S/c1-18-16-23(32-5)19(2)20(3)24(18)33(30,31)26-22(17-21-10-7-6-8-11-21)25(29)28-13-9-12-27(4)14-15-28/h6-8,10-11,16,22,26H,9,12-15,17H2,1-5H3/t22-/m0/s1
PubChem CID	54587780
ChEMBL	CHEMBL1779229
IUPHAR	N/A
BindingDB	50345076
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	3200.0 nM	PMID21601454	BindingDB,ChEMBL

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