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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	3-hydroxy-1-(6-methylpyridin-2-yl)-5-[4-(propan-2-yl)phenyl]-4-(thiophen-2-ylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
Molecular formula	C24H22N2O3S
IUPAC name	4-hydroxy-1-(6-methylpyridin-2-yl)-2-(4-propan-2-ylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Molecular weight	418.511
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	5.4
Synonyms	(E)-{1-(6-methylpyridinium-2-yl)-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-3-ylidene}(thiophen-2-yl)methanolate STK983037 384359-74-4 MCULE-4467452188 AKOS005748410 Oprea1_514710 3-hydroxy-1-(6-methyl(2-pyridyl))-5-[4-(methylethyl)phenyl]-4-(2-thienylcarbon yl)-3-pyrrolin-2-one CHEMBL1576217 STL148443 AC1MXUNX MolPort-000-433-281 AKOS016294850 ST50048157 HMS2798D08 AKOS002169209 MolPort-000-700-128 [ Show all ]
Inchi Key	DUJWEXPTWKQUEI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H22N2O3S/c1-14(2)16-9-11-17(12-10-16)21-20(22(27)18-7-5-13-30-18)23(28)24(29)26(21)19-8-4-6-15(3)25-19/h4-14,21,28H,1-3H3
PubChem CID	3771682
ChEMBL	CHEMBL1576217
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Potency	48943.1 nM	PubChem BioAssay data set	ChEMBL

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