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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	AC1NDZNH
Molecular formula	C19H22N6O6
IUPAC name	2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]acetohydrazide
Molecular weight	430.421
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	0.5
Synonyms	CHEBI:107206 SMR000343335 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]acetohydrazide HMS2693P12 MolPort-004-022-232 Z27816581 571155-74-3 MCULE-9008528847 AKOS034028555 N'-[2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetyl]-2-(2-ethoxyphenoxy)acetohydrazide CHEMBL1544116 ZINC9444172 AB00607495-06 MLS000517184 [ Show all ]
Inchi Key	HITLLWUXFLNTQH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H22N6O6/c1-4-30-12-7-5-6-8-13(12)31-10-15(27)22-21-14(26)9-25-11-20-17-16(25)18(28)24(3)19(29)23(17)2/h5-8,11H,4,9-10H2,1-3H3,(H,21,26)(H,22,27)
PubChem CID	4634206
ChEMBL	CHEMBL1544116
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	30881.0 nM	PubChem BioAssay data set	ChEMBL

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