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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	AC1N8RBE
Molecular formula	C19H21N5O5S2
IUPAC name	N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
Molecular weight	463.527
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	1.7
Synonyms	N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide CHEMBL1511455 Z20241457 790251-36-4 MLS001002212 AKOS033738121 N-[2-methoxy-5-(morpholine-4-sulfonyl)phenyl]-2-{[1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl}acetamide HMS2667H22 ZINC13138637 AB00594699-04 MolPort-004-278-604 SMR000368742 MCULE-2306083061 [ Show all ]
Inchi Key	ADNUYNVLOWBEJO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H21N5O5S2/c1-28-16-6-5-14(31(26,27)23-8-10-29-11-9-23)12-15(16)20-18(25)13-30-19-22-21-17-4-2-3-7-24(17)19/h2-7,12H,8-11,13H2,1H3,(H,20,25)
PubChem CID	4299978
ChEMBL	CHEMBL1511455
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	3878.5 nM	PubChem BioAssay data set	ChEMBL

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