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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	CHEMBL2370641
Molecular formula	C50H73N9O9S2
IUPAC name	(2S)-N-(4-aminobutyl)-1-[(11S,14R,17S,20R,23R)-14-(2-amino-2-oxoethyl)-20-benzyl-23-[(4-ethoxyphenyl)methyl]-13,16,19,22,25-pentaoxo-17-propan-2-yl-7,9-dithia-12,15,18,21,24-pentazaspiro[5.20]hexacosane-11-carbonyl]pyrrolidine-2-carboxamide
Molecular weight	1008.31
Hydrogen bond acceptor	12
Hydrogen bond donor	8
XlogP	3.4
Synonyms	1-[20-Benzyl-14-carbamoylmethyl-23-(4-ethoxy-benzyl)-17-isopropyl-13,16,19,22,25-pentaoxo-7,9-dithia-12,15,18,21,24-pentaaza-spiro[5.20]hexacosane-11-carbonyl]-pyrrolidine-2-carboxylic acid (4-amino-butyl)-amide BDBM50016763
Inchi Key	BHHACPROAPWYPC-JDVMESIYSA-N
Inchi ID	InChI=1S/C50H73N9O9S2/c1-4-68-35-19-17-34(18-20-35)27-36-44(62)55-37(26-33-14-7-5-8-15-33)46(64)58-43(32(2)3)48(66)56-38(28-41(52)60)45(63)57-39(30-69-31-70-50(29-42(61)54-36)21-9-6-10-22-50)49(67)59-25-13-16-40(59)47(65)53-24-12-11-23-51/h5,7-8,14-15,17-20,32,36-40,43H,4,6,9-13,16,21-31,51H2,1-3H3,(H2,52,60)(H,53,65)(H,54,61)(H,55,62)(H,56,66)(H,57,63)(H,58,64)/t36-,37-,38-,39-,40+,43+/m1/s1
PubChem CID	73345487
ChEMBL	CHEMBL2370641
IUPHAR	N/A
BindingDB	50016763
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
ED300	19.0 ug kg-1	PMID2521519	ChEMBL

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