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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	CHEMBL1779415
Molecular formula	C29H27ClN4O7S
IUPAC name	(3R)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxypyridin-3-yl)-3-[2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one
Molecular weight	611.066
Hydrogen bond acceptor	10
Hydrogen bond donor	0
XlogP	4.0
Synonyms	BDBM50345137 (+/-)-(3R)-5-chloro-1-(2,4-dimethoxyphenylsulfonyl)-3-(2-methoxypyridin-3-yl)-3-(2-(oxazol-2-yl)pyrrolidin-1-yl)indolin-2-one
Inchi Key	ASOTVOFICYBESK-IZCXSWDTSA-N
Inchi ID	InChI=1S/C29H27ClN4O7S/c1-38-19-9-11-25(24(17-19)39-2)42(36,37)34-22-10-8-18(30)16-21(22)29(28(34)35,20-6-4-12-31-26(20)40-3)33-14-5-7-23(33)27-32-13-15-41-27/h4,6,8-13,15-17,23H,5,7,14H2,1-3H3/t23?,29-/m0/s1
PubChem CID	54583496
ChEMBL	CHEMBL1779415
IUPHAR	N/A
BindingDB	50345137
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	101.0 nM	PMID21605973	BindingDB,ChEMBL

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