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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	AC1MBAV7
Molecular formula	C18H16BrN3O4
IUPAC name	(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Molecular weight	418.247
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	1.5
Synonyms	CHEMBL1593590 ZINC3531972 (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate MLS002162917 AKOS002442169 SMR001245311 HMS3068H03 {7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate 852838-07-4 MolPort-004-086-905 Z15516480 MCULE-6954210149 SCHEMBL19432723 [ Show all ]
Inchi Key	FSNZIHKIOIUBHQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H16BrN3O4/c1-9-16(11(3)23)10(2)20-17(9)18(25)26-8-13-6-15(24)22-7-12(19)4-5-14(22)21-13/h4-7,20H,8H2,1-3H3
PubChem CID	2647611
ChEMBL	CHEMBL1593590
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	6147.0 nM	PubChem BioAssay data set	ChEMBL

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