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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 V2 receptor
Species	Rattus norvegicus (Rat)
Gene	Avpr2
Synonym	AVPR V2 Antidiuretic hormone receptor ADHR Renal-type arginine vasopressin receptor V2 receptor V2R DIR3 [ Show all ]
Disease	N/A for non-human GPCRs
Length	371
Amino acid sequence	MLLVSTVSAVPGLFSPPSSPSNSSQEELLDDRDPLLVRAELALLSTIFVAVALSNGLVLGALIRRGRRGRWAPMHVFISHLCLADLAVALFQVLPQLAWDATDRFHGPDALCRAVKYLQMVGMYASSYMILAMTLDRHRAICRPMLAYRHGGGARWNRPVLVAWAFSLLLSLPQLFIFAQRDVGNGSGVFDCWARFAEPWGLRAYVTWIALMVFVAPALGIAACQVLIFREIHASLVPGPSERAGRRRRGRRTGSPSEGAHVSAAMAKTVRMTLVIVIVYVLCWAPFFLVQLWAAWDPEAPLERPPFVLLMLLASLNSCTNPWIYASFSSSVSSELRSLLCCAQRHTTHSLGPQDESCATASSSLMKDTPS
UniProt	Q00788
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3766
IUPHAR	368
DrugBank	N/A

Ligand

Name	Relcovaptan
Molecular formula	C28H27Cl2N3O7S
IUPAC name	(2S)-1-[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-3-hydroxy-2H-indole-2-carbonyl]pyrrolidine-2-carboxamide
Molecular weight	620.498
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	3.8
Synonyms	(S)-1-((2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4-dimethoxyphenylsulfonyl)-3-hydroxyindoline-2-carbonyl)pyrrolidine-2-carboxamide C-35608 D0WH4H NCGC00092366-01 SR 49059, >=97% (HPLC) [3H] SR 49059 1-[5-Chloro-3-(2-chloro-phenyl)-1-(3,4-dimethoxy-benzenesulfonyl)-3-hydroxy-2,3-dihydro-1H-indole-2-carbonyl]-pyrrolidine-2-carboxylic acid amide AKOS024457044 CC-00441 GTPL3482 Relcovaptan (SR-49059) SR-49059 [3H]SR49059 (2S)-1-[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4-dimethoxybenzenesulfonyl)-3-hydroxy-2,3-dihydro-1H-indole-2-carbonyl]-pyrrolidine-2-carboxamide (2S)-1-[[(2R,3S)-5-CHLORO-3-(2-CHLOROPHENYL)-1-[(3,4-DIMETHOXYPHENYL)SULFONYL]-2,3-DIHYDRO-3-HYDROXY-1H-INDOL-2-YL]CARBONYL]-2-PYRROLIDINECARBOXAMIDE BDBM50114031 CHEMBL419667 LS-137352 SCHEMBL4387208 UNII-C1GL8G6G0O 1-(5-Chloro-3-(2-chlorophenyl)-1-(3,4-dimethoxybenzenesulfonyl)-3-hydroxy-2,3-dihydro-1H-indole-2-carbonyl)pyrrolidine-2-carboxamide AC1L1U7F C1GL8G6G0O NCGC00092366-02 SR-01000945058 [3H]relcovaptan 150375-75-0 AOB5368 CHEBI:93701 HMS3268L06 Relcovaptan (SR49059) SR49059 (2S)-1-[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-3-hydroxy-2H-indole-2-carbonyl]pyrrolidine-2-carboxamide (2S)-1-[[(2R,3S)-5-Chloro-3-(2-chlorophenyl)-1-[(3,4dimethoxyphenyl)sulfonyl]-2,3-dihydro-3-hydroxy-1H-indol-2-yl] carbonyl]-2-pyrrolidinecarboxamide BRD-K96720755-001-01-8 D0I8ZZ MolPort-023-276-390 SR 49059 ZINC3931527 1-({(2r,3s)-5-chloro-3-(2-chlorophenyl)-1-[(3,4-dimethoxyphenyl)sulfonyl]-3-hydroxy-2,3-dihydro-1h-indol-2-yl}carbonyl)-l-prolinamide AC1Q5IRB C28H27Cl2N3O7S GTPL2200 SR-01000945058-1 [3H]SR-49059 (2S)-1-(((2R,3S)-5-Chloro-3-(o-chlorophenyl)-1-((3,4-dimethoxyphenyl)sulfonyl)-3-hydroxy-2-indolinyl)carbonyl)-2-pyrrolidinecarboxamide (2S)-1-[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-3-hydroxy2H-indole-2-carbonyl]pyrrolidine-2-carboxamide 2-Pyrrolidinecarboxamide, 1-((5-chloro-3-(2-chlorophenyl)-1-((3,4-dimethoxyphenyl)sulfonyl)-2,3-dihydro-3-hydroxy-1H-indol-2-yl)carbonyl)-, (2R-(2alpha(S*),3beta))- B7013 J-008692 Relcovaptan [INN] TDI-0134 [ Show all ]
Inchi Key	CEBYCSRFKCEUSW-NAYZPBBASA-N
Inchi ID	InChI=1S/C28H27Cl2N3O7S/c1-39-23-12-10-17(15-24(23)40-2)41(37,38)33-21-11-9-16(29)14-19(21)28(36,18-6-3-4-7-20(18)30)25(33)27(35)32-13-5-8-22(32)26(31)34/h3-4,6-7,9-12,14-15,22,25,36H,5,8,13H2,1-2H3,(H2,31,34)/t22-,25-,28+/m0/s1
PubChem CID	60943
ChEMBL	CHEMBL419667
IUPHAR	2200, 3482
BindingDB	50114031
DrugBank	DB13929
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	285.0 nM	PMID12036368	BindingDB
Ki	285.0 nM	PMID12036368	ChEMBL
Ratio	200.0 -	PMID12036368	ChEMBL

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