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GPCR

Name	Vasopressin V1a receptor
Species	Homo sapiens (Human)
Gene	AVPR1A
Synonym	AVPR V1a AVPR Antidiuretic hormone receptor 1a AVPR1 V1A receptor V1aR Vascular/hepatic-type arginine vasopressin receptor [ Show all ]
Disease	Euvolemic hyponatremia Hyponatraemia Dysmenorrhea Cardiotonic Infertility Localisation Autism Anxiety disorder Septic shock Acute and chronic heart failure Hypertension [ Show all ]
Length	418
Amino acid sequence	MRLSAGPDAGPSGNSSPWWPLATGAGNTSREAEALGEGNGPPRDVRNEELAKLEIAVLAVTFAVAVLGNSSVLLALHRTPRKTSRMHLFIRHLSLADLAVAFFQVLPQMCWDITYRFRGPDWLCRVVKHLQVFGMFASAYMLVVMTADRYIAVCHPLKTLQQPARRSRLMIAAAWVLSFVLSTPQYFVFSMIEVNNVTKARDCWATFIQPWGSRAYVTWMTGGIFVAPVVILGTCYGFICYNIWCNVRGKTASRQSKGAEQAGVAFQKGFLLAPCVSSVKSISRAKIRTVKMTFVIVTAYIVCWAPFFIIQMWSVWDPMSVWTESENPTITITALLGSLNSCCNPWIYMFFSGHLLQDCVQSFPCCQNMKEKFNKEDTDSMSRRQTFYSNNRSPTNSTGMWKDSPKSSKSIKFIPVST
UniProt	P37288
Protein Data Bank	N/A
GPCR-HGmod model	P37288
3D structure model	This predicted structure model is from GPCR-EXP P37288.
BioLiP	N/A
Therapeutic Target Database	T79232
ChEMBL	CHEMBL1889
IUPHAR	366
DrugBank	BE0000165

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	Pitressin Diacetate 113-79-1 UNII-Y4907O6MFD 8-Arginine-vasopressin 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 Rindervasopressin Diacetate Vasopressin (JP15/USP) 8-L-Arginine-vasopressin Diacetate [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 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) 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) Pitressin tannate (TN) 113A791 Vasophysin 8-L-Arginine vasopressin Y4907O6MFD Antidiuretic Hormones Arginine-8-vasopressin Argipressin tannate [USAN] AVP CHEBI:34543 DSSTox_RID_82752 Monarch Brand of Vasopressin roxybenzyl-6,9,12,15,18-pentaoxo- (6CI) 3-(L-Phenylalanine)-8-L-arginine-oxytocin Diacetate Vasopressin (USP) 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 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- 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 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 [3H]arginine vasopressin Arg-vasopressin Arginine-8-vasopressin Diacetate Argipressin [INN:BAN] AVP Diacetate DTXSID0048349 NCGC00166306-01 (Arg8)-Vasopressin SCHEMBL17874853 3-(Phenylalanine)-8-arginineoxytocin Vasopressin Monarch Brand 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- [ 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	0.2344 nM	PMID21688787	ChEMBL
EC50	0.24 nM	PMID21688787, PMID24874785	ChEMBL
EC50	0.24 nM	PMID24874785	BindingDB
Ki	0.26 nM	PMID17850055	ChEMBL
Ki	0.35 nM	PMID17850055	ChEMBL
Ki	0.501187 - 3.16228 nM	PMID8106369, PMID9884074, PMID9334232, PMID10780976, PMID9322919, PMID12446593, PMID9459574, PMID15084136, PMID9264324, PMID10866830, PMID9864265, PMID10519430	IUPHAR
Ki	0.56 nM	PMID17850055	ChEMBL
Ki	0.7 nM	PMID22984902	BindingDB,ChEMBL
Ki	1.1 nM	PMID21428295	ChEMBL
Ki	1.13 nM	PMID17850055	ChEMBL
Ki	1.3 nM	PMID17850055	ChEMBL
Ki	1.35 nM	PMID17850055	ChEMBL
Ki	1.53 nM	PMID17850055	ChEMBL
Ki	3.95 nM	PMID17850055	ChEMBL

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