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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	AC1NLL93
Molecular formula	C16H16ClN3O5S
IUPAC name	[2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
Molecular weight	397.83
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	1.7
Synonyms	MCULE-1918390470 SMR000364219 CHEMBL1456558 [(2-chloropyridin-3-yl)carbamoyl]methyl 4-(dimethylsulfamoyl)benzoate MLS000773530 AKOS033667400 Z19247277 HMS2727A21 [2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate 726144-26-9 MolPort-004-257-217 ZINC4995853 [ Show all ]
Inchi Key	AGYGOBAYOHPWLH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H16ClN3O5S/c1-20(2)26(23,24)12-7-5-11(6-8-12)16(22)25-10-14(21)19-13-4-3-9-18-15(13)17/h3-9H,10H2,1-2H3,(H,19,21)
PubChem CID	4984225
ChEMBL	CHEMBL1456558
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	19438.4 nM	PubChem BioAssay data set	ChEMBL

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