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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	MLS000061371
Molecular formula	C9H7ClN2O2S
IUPAC name	5-(5-chloro-2-methoxyphenyl)-3H-1,3,4-oxadiazole-2-thione
Molecular weight	242.677
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.6
Synonyms	CHEMBL1374054 MolPort-002-085-726 5-(5-Chloro-2-methoxyphenyl)-1,3,4-oxadiazole-2(3H)-thione AKOS008965068 EU-0012735 ST4050018 5-(5-chloro-2-methoxyphenyl)-3H-1,3,4-oxadiazole-2-thione CB13831 MCULE-1584085919 5-(5-chloranyl-2-methoxy-phenyl)-3H-1,3,4-oxadiazole-2-thione AC1LDTDE CHEBI:113001 cid_701063 SMR000070630 5-(5-Chloro-2-methoxyphenyl)-1,3,4-oxadiazole-2(3H)-thione # BDBM42817 FOBNNSSNVSMNMG-UHFFFAOYSA-N STK696460 6079-50-1 CBMicro_010811 5-(5-chloro-2-methoxy-phenyl)-3H-1,3,4-oxadiazole-2-thione AKOS001676795 DTXSID30351476 SMSF0013604 5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazoline-2-thione BIM-0010614.P001 HMS2328F08 ZINC6492170 1,3,4-Oxadiazole-2(3H)-thione, 5-(5-chloro-2-methoxyphenyl)- A2118/0088907 CCG-21123 [ Show all ]
Inchi Key	FOBNNSSNVSMNMG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H7ClN2O2S/c1-13-7-3-2-5(10)4-6(7)8-11-12-9(15)14-8/h2-4H,1H3,(H,12,15)
PubChem CID	701063
ChEMBL	CHEMBL1374054
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	4351.7 nM	PubChem BioAssay data set	ChEMBL

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