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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	MLS000551396
Molecular formula	C22H20BrClN4O3
IUPAC name	4-[4-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]piperazin-1-yl]-4-oxobutanoic acid
Molecular weight	503.781
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.7
Synonyms	451461-22-6 HMS2173K14 ZINC8686187 4-[4-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]piperazin-1-yl]-4-oxobutanoic acid BDBM41499 MolPort-000-248-129 4-{4-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]piperazin-1-yl}-4-oxobutanoic acid cid_1386650 ST50759232 4-[4-[6-bromanyl-4-(2-chlorophenyl)quinazolin-2-yl]piperazin-1-yl]-4-oxidanylidene-butanoic acid AC1LR1RG 4-[4-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]piperazino]-4-keto-butyric acid Oprea1_609645 4-{4-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]piperazinyl}-4-oxobutanoic aci d HMS1612M05 UNM000003651101 4-[4-[6-bromo-4-(2-chlorophenyl)-2-quinazolinyl]-1-piperazinyl]-4-oxobutanoic acid AKOS001487544 MLS002581926 4-{4-[6-Bromo-4-(2-chloro-phenyl)-quinazolin-2-yl]-piperazin-1-yl}-4-oxo-butyric acid CHEMBL1333441 SMR000145321 [ Show all ]
Inchi Key	CJWRZEGXLDKDGH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H20BrClN4O3/c23-14-5-6-18-16(13-14)21(15-3-1-2-4-17(15)24)26-22(25-18)28-11-9-27(10-12-28)19(29)7-8-20(30)31/h1-6,13H,7-12H2,(H,30,31)
PubChem CID	1386650
ChEMBL	CHEMBL1333441
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Potency	19438.4 nM	PubChem BioAssay data set	ChEMBL

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