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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	CHEMBL1779406
Molecular formula	C34H39ClN4O6S
IUPAC name	(2S)-1-[(3R)-5-chloro-1-(4-methoxyphenyl)sulfonyl-3-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoindol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide
Molecular weight	667.218
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	4.7
Synonyms	BDBM50345130 (S)-1-((R)-5-chloro-3-(2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl)-1-(4-methoxyphenylsulfonyl)-2-oxoindolin-3-yl)-N,N-dimethylpyrrolidine-2-carboxamide
Inchi Key	BJPPSTZIMCILME-NHZFLZHXSA-N
Inchi ID	InChI=1S/C34H39ClN4O6S/c1-36(2)32(40)30-8-7-19-38(30)34(27-15-9-23(20-31(27)45-4)22-37-17-5-6-18-37)28-21-24(35)10-16-29(28)39(33(34)41)46(42,43)26-13-11-25(44-3)12-14-26/h9-16,20-21,30H,5-8,17-19,22H2,1-4H3/t30-,34-/m0/s1
PubChem CID	54584478
ChEMBL	CHEMBL1779406
IUPHAR	N/A
BindingDB	50345130
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	0.08 nM	PMID21605973	BindingDB,ChEMBL

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