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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	Sus scrofa (Pig)
Gene	AVPR2
Synonym	Antidiuretic hormone receptor AVPR V2 Renal-type arginine vasopressin receptor V2R
Disease	N/A for non-human GPCRs
Length	370
Amino acid sequence	MLRATTSAVPRALSWPAAPGNGSEREPLDDRDPLLARVELALLSTVFVAVALSNGLVLGALVRRGRRGRWAPMHVFIGHLCLADLAVALFQVLPQLAWDATYRFRGPDALCRAVKYLQMVGMYASSYMILAMTLDRHRAICRPMLAYRHGGGARWNRPVLVAWAFSLLLSLPQLFIFAQRDVGDGSGVLDCWASFAEPWGLRAYVTWIALMVFVAPALGIAACQVLIFREIHTSLVPGPAERAGGHRGGRRAGSPREGARVSAAMAKTARMTLVIVAVYVLCWAPFFLVQLWSVWDPKAPREGPPFVLLMLLASLNSCTNPWIYASFSSSISSELRSLLCCPRRRTPPSLRPQEESCATASSFSARDTSS
UniProt	P32307
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	CHEMBL3944
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL416114
Molecular formula	C46H67N9O9S2
IUPAC name	(10S,13R,16S,19R,22R)-13-(2-amino-2-oxoethyl)-19-benzyl-N-[(2R)-1,6-diamino-1-oxohexan-2-yl]-22-[(4-ethoxyphenyl)methyl]-12,15,18,21,24-pentaoxo-16-propan-2-yl-7,8-dithia-11,14,17,20,23-pentazaspiro[5.19]pentacosane-10-carboxamide
Molecular weight	954.216
Hydrogen bond acceptor	12
Hydrogen bond donor	9
XlogP	2.0
Synonyms	BDBM50016760 N1-[1-(5-Amino-1-carbamoyl-pentylcarbamoyl)-2-mercapto-ethyl]-2-[2-(2-{3-(4-ethoxy-phenyl)-2-[2-(1-mercapto-cyclohexyl)-acetylamino]-propionylamino}-3-phenyl-propionylamino)-3-methyl-butyrylamino]-succinamide 19-Benzyl-13-carbamoylmethyl-22-(4-ethoxy-benzyl)-16-isopropyl-12,15,18,21,24-pentaoxo-7,8-dithia-11,14,17,20,23-pentaaza-spiro[5.19]pentacosane-10-carboxylic acid (5-amino-1-carbamoyl-pentyl)-amide
Inchi Key	HRFWEUADKZZMBI-YHYOEJKBSA-N
Inchi ID	InChI=1S/C46H67N9O9S2/c1-4-64-31-18-16-30(17-19-31)24-33-41(59)52-34(23-29-13-7-5-8-14-29)43(61)55-39(28(2)3)45(63)53-35(25-37(48)56)42(60)54-36(44(62)51-32(40(49)58)15-9-12-22-47)27-65-66-46(26-38(57)50-33)20-10-6-11-21-46/h5,7-8,13-14,16-19,28,32-36,39H,4,6,9-12,15,20-27,47H2,1-3H3,(H2,48,56)(H2,49,58)(H,50,57)(H,51,62)(H,52,59)(H,53,63)(H,54,60)(H,55,61)/t32-,33-,34-,35-,36-,39+/m1/s1
PubChem CID	44294573
ChEMBL	CHEMBL416114
IUPHAR	N/A
BindingDB	50016760
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
K bind	26.0 nM	PMID2521519	ChEMBL
Ki	5.8 nM	PMID2933517, PMID2521519	BindingDB,ChEMBL
Ki	26.0 nM	PMID2933517	BindingDB,ChEMBL

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