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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	CHEMBL3037878
Molecular formula	C52H76N10O10S2
IUPAC name	(2S)-1-[(11S,14S,17S,20S,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]-N-[(2S)-1,6-diamino-1-oxohexan-2-yl]pyrrolidine-2-carboxamide
Molecular weight	1065.36
Hydrogen bond acceptor	13
Hydrogen bond donor	9
XlogP	2.8
Synonyms	BDBM50016761 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 (5-amino-1-carbamoyl-pentyl)-amide
Inchi Key	CCYHBILUATWEPL-PIABLFQSSA-N
Inchi ID	InChI=1S/C52H76N10O10S2/c1-4-72-35-20-18-34(19-21-35)27-37-46(66)58-38(26-33-14-7-5-8-15-33)48(68)61-44(32(2)3)50(70)59-39(28-42(54)63)47(67)60-40(30-73-31-74-52(29-43(64)56-37)22-10-6-11-23-52)51(71)62-25-13-17-41(62)49(69)57-36(45(55)65)16-9-12-24-53/h5,7-8,14-15,18-21,32,36-41,44H,4,6,9-13,16-17,22-31,53H2,1-3H3,(H2,54,63)(H2,55,65)(H,56,64)(H,57,69)(H,58,66)(H,59,70)(H,60,67)(H,61,68)/t36-,37+,38-,39-,40+,41-,44-/m0/s1
PubChem CID	73357300
ChEMBL	CHEMBL3037878
IUPHAR	N/A
BindingDB	50016761
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	22.0 ug kg-1	PMID2521519	ChEMBL

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