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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	CHEMBL1778934
Molecular formula	C32H34N4O2
IUPAC name	N-(cyclopropylmethyl)-2-[4-oxo-2-phenyl-6-[4-(piperidin-1-ylmethyl)phenyl]quinazolin-3-yl]acetamide
Molecular weight	506.65
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.9
Synonyms	BDBM50345062 N-(cyclopropylmethyl)-2-(4-oxo-2-phenyl-6-(4-(piperidin-1-ylmethyl)phenyl)quinazolin-3(4H)-yl)acetamide SCHEMBL3552454
Inchi Key	APLNTDBKSIRJBX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C32H34N4O2/c37-30(33-20-23-9-10-23)22-36-31(26-7-3-1-4-8-26)34-29-16-15-27(19-28(29)32(36)38)25-13-11-24(12-14-25)21-35-17-5-2-6-18-35/h1,3-4,7-8,11-16,19,23H,2,5-6,9-10,17-18,20-22H2,(H,33,37)
PubChem CID	54585721
ChEMBL	CHEMBL1778934
IUPHAR	N/A
BindingDB	50345062
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<20000.0 nM	PMID21596563	BindingDB,ChEMBL

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