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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	methyl 3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-4-hydroxy-5-nitrobenzoate
Molecular formula	C17H12N2O7
IUPAC name	methyl 3-[(1,3-dioxoisoindol-2-yl)methyl]-4-hydroxy-5-nitrobenzoate
Molecular weight	356.29
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	2.3
Synonyms	AKOS001735149 MLS001198313 ZINC4580134 HMS2875P17 SMR000559241 A2802/0118461 methyl 3-[(1,3-dioxoisoindol-2-yl)methyl]-4-hydroxy-5-nitrobenzoate ST045735 MolPort-001-537-154 MCULE-2847392370 SR-01000538690 AC1LNUHY methyl 5-[(1,3-dioxobenzo[c]azolin-2-yl)methyl]-4-hydroxy-3-nitrobenzoate STK663476 CHEMBL1590469 Oprea1_633740 SR-01000538690-1 [ Show all ]
Inchi Key	HAIYABUPJWVPCY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H12N2O7/c1-26-17(23)9-6-10(14(20)13(7-9)19(24)25)8-18-15(21)11-4-2-3-5-12(11)16(18)22/h2-7,20H,8H2,1H3
PubChem CID	1252599
ChEMBL	CHEMBL1590469
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	30881.0 nM	PubChem BioAssay data set	ChEMBL

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