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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	Oprea1_804678
Molecular formula	C19H15N5O3S
IUPAC name	3-[[2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]amino]benzoic acid
Molecular weight	393.421
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	2.3
Synonyms	AKOS000736981 SR-01000354967-1 HMS2875P23 SMR000504561 ZINC12486295 MLS001212724 3-[2-(5-Methyl-5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)-acetylamino]-benzoic acid SR-01000354967 CHEMBL1360279 [ Show all ]
Inchi Key	GRPTWTHXAPTZDC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H15N5O3S/c1-24-14-8-3-2-7-13(14)16-17(24)21-19(23-22-16)28-10-15(25)20-12-6-4-5-11(9-12)18(26)27/h2-9H,10H2,1H3,(H,20,25)(H,26,27)
PubChem CID	24000844
ChEMBL	CHEMBL1360279
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	21862.1 nM	PubChem BioAssay data set	ChEMBL

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