Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

GPCR

Name	Vasopressin V2 receptor
Species	Homo sapiens (Human)
Gene	AVPR2
Synonym	AVPR V2 antidiuretic hormone receptor Renal-type arginine vasopressin receptor DIR3 ADHR V2 receptor V2R [ Show all ]
Disease	Euvolemic hyponatremia; Hypervolemic hyponatremia Enuresis; Polyuria; Diabetes insipidus Hypervolaemic hyponatraemia; Euvolaemic hyponatraemia Congestive heart failure Heart failure Nocturia Urinary incontinence Acute and chronic heart failure [ Show all ]
Length	371
Amino acid sequence	MLMASTTSAVPGHPSLPSLPSNSSQERPLDTRDPLLARAELALLSIVFVAVALSNGLVLAALARRGRRGHWAPIHVFIGHLCLADLAVALFQVLPQLAWKATDRFRGPDALCRAVKYLQMVGMYASSYMILAMTLDRHRAICRPMLAYRHGSGAHWNRPVLVAWAFSLLLSLPQLFIFAQRNVEGGSGVTDCWACFAEPWGRRTYVTWIALMVFVAPTLGIAACQVLIFREIHASLVPGPSERPGGRRRGRRTGSPGEGAHVSAAVAKTVRMTLVIVVVYVLCWAPFFLVQLWAAWDPEAPLEGAPFVLLMLLASLNSCTNPWIYASFSSSVSSELRSLLCCARGRTPPSLGPQDESCTTASSSLAKDTSS
UniProt	P30518
Protein Data Bank	N/A
GPCR-HGmod model	P30518
3D structure model	This predicted structure model is from GPCR-EXP P30518.
BioLiP	N/A
Therapeutic Target Database	T66237
ChEMBL	CHEMBL1790
IUPHAR	368
DrugBank	BE0000293

Ligand

Name	ARGIPRESSIN
Molecular formula	C46H65N15O12S2
IUPAC name	(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
Molecular weight	1084.24
Hydrogen bond acceptor	16
Hydrogen bond donor	14
XlogP	-4.8
Synonyms	American Pharmaceutical Brand of Vasopressin [8-Arginine]vasopressin Diacetate Arginine antidiuretic hormone Diacetate Argipressine [INN-French] beta Hypophamine D0N4OW GTPL2168 Parke-Davis Brand of Vasopressin (USP) 1,2-Dithia-5,8,11,14,17-pentaazacycloeicosane-10-propionamide, 19-amino-13-benzyl-7-(carbamoylmethyl)-4-[2-[[1-[(carbamoylmethyl)carbamoyl]-4-guanidinobutyl]carbamoyl]-1-pyrrolidinylcarbonyl]-16-p-hyd SCHEMBL43139 Vasopressin(Argipressin) Y4907O6MFD Antidiuretic Hormones Arginine-8-vasopressin Argipressin tannate [USAN] AVP CHEBI:34543 DSSTox_RID_82752 Monarch Brand of Vasopressin Pitressin tannate (TN) 113A791 Vasophysin 8-L-Arginine vasopressin AC1LD8IN [3H]vasopressin Arg8-vasopressin Diacetate Arginine-vasopressin Diacetate Argipressina BDBM35667 Cys-Tyr-Phe-Gln-Asn-Cys-Pro-Arg-Gly-NH2[Disulfide Bridge: 1-6] EINECS 204-035-4 NCGC00188439-01 (2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-13-(phenylmethyl)1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(d roxybenzyl-6,9,12,15,18-pentaoxo- (6CI) 3-(L-Phenylalanine)-8-L-arginine-oxytocin Diacetate Vasopressin (USP) American Regent Brand of Vasopressin [Arg8]-Vasopressin Arginine vasopressin Argipressin Diacetate Argipressinum beta-Hypophamine DSSTox_CID_28324 L-Cysteinyl-L-tyrosyl-L-phenylalanyl-L-glutaminyl-L-asparaginyl-L-cysteinyl-L-prolyl-L-arginylglycinamide Cyclic (1 inverted exclamation marku6)-Disulfide Diacetate Pitressin 1-{[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-L-arginylglycinamide Tox21_113037 Vasopressin, 8-L-arginine- [3H]arginine vasopressin Arg-vasopressin Arginine-8-vasopressin Diacetate Argipressin [INN:BAN] AVP Diacetate DTXSID0048349 NCGC00166306-01 Rindervasopressin 19-Amino-13-benzyl-7-(carbamoylmethyl)-4-[2-[[1-[(carbamoylmethyl)carbamoyl]-4-guanidinobutyl]carbamoyl]-1-pyrrolidinylcarbonyl]-16-p-hydroxybenzyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloeicosane-10-propionamide Diacetate Vasopressin (arginine form) 8-L-Arginine-vasopressin AKOS030529553 [8-Arginine]vasopressin Arginine antidiuretic hormone Argipresina Argipressine BDBM50044777 D02983 Glycinamide, L-cysteinyl-L-tyrosyl-L-phenylalanyl-L-glutaminyl-L-asparaginyl-L-cysteinyl-L-prolyl-L-arginyl-, cyclic (1>6)-disulfide Oxytocin, 3-(L-phenylalanine)-8-L-arginine- (Arg8)-Vasopressin SCHEMBL17874853 3-(Phenylalanine)-8-arginineoxytocin Vasopressin Monarch Brand Vasopressin, 8-L-arginine- (7CI,8CI,9CI) Antidiuretic hormone [cyclo S-S]CYFQNCPRG-NH2 Arginine Vasopressin Diacetate Argipressin tannate (USAN) Argipressinum [INN-Latin] CAS-113-79-1 DSSTox_GSID_48349 Leiormone Diacetate Pitressin Diacetate 113-79-1 UNII-Y4907O6MFD 8-Arginine-vasopressin [3H]Argipressin tannate Arg8-vasopressin Arginine-vasopressin Argipressin [INN] BC660199 CHEMBL373742 EBD54999 NCGC00166306-02 (2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminom Rindervasopressin Diacetate Vasopressin (JP15/USP) 8-L-Arginine-vasopressin Diacetate [ Show all ]
Inchi Key	KBZOIRJILGZLEJ-LGYYRGKSSA-N
Inchi ID	InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
PubChem CID	644077
ChEMBL	CHEMBL373742
IUPHAR	2168
BindingDB	35667, 50044777
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
EC50	0.05 nM	PMID24874785	BindingDB
EC50	0.05 nM	PMID21688787, PMID24874785	ChEMBL
EC50	0.05012 nM	PMID21688787	ChEMBL
EC50	0.052 nM	PMID16297621	ChEMBL
IC50	242.0 nM	PMID23312470	BindingDB,ChEMBL
Kact	0.29 nM	PMID22984902	ChEMBL
Ki	0.78 nM	PMID9864265	BindingDB
Ki	0.794328 - 12.5893 nM	PMID9884074, PMID10780976, PMID9322919, PMID12446593, PMID9459574, PMID15084136, PMID9264324, PMID9864265, PMID10519430, PMID7774575, PMID11012895	IUPHAR
Ki	1.2 nM	PMID21428295	ChEMBL
Ki	1.36 nM	PMID22984902	BindingDB,ChEMBL
Ki	1.48 nM	PMID22984902	BindingDB,ChEMBL

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417