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GPCR

Name	Oxytocin receptor
Species	Homo sapiens (Human)
Gene	OXTR
Synonym	OTR OT-R OT receptor
Disease	Threatened pre-term labour Postpartum haemorrhage Premature ejaculation Miscarriage Female sexual dysfunction Erectile dysfunction Autism Androgen decline [ Show all ]
Length	389
Amino acid sequence	MEGALAANWSAEAANASAAPPGAEGNRTAGPPRRNEALARVEVAVLCLILLLALSGNACVLLALRTTRQKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLATWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYITWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAEAPEGAAAGDGGRVALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDANAPKEASAFIIVMLLASLNSCCNPWIYMLFTGHLFHELVQRFLCCSASYLKGRRLGETSASKKSNSSSFVLSHRSSSQRSCSQPSTA
UniProt	P30559
Protein Data Bank	N/A
GPCR-HGmod model	P30559
3D structure model	This predicted structure model is from GPCR-EXP P30559.
BioLiP	N/A
Therapeutic Target Database	T84486
ChEMBL	CHEMBL2049
IUPHAR	369
DrugBank	BE0000844

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	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 [3H]Argipressin tannate Arg8-vasopressin Arginine-vasopressin Argipressin [INN] BC660199 CHEMBL373742 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) American Pharmaceutical Brand of Vasopressin [8-Arginine]vasopressin Diacetate Arginine antidiuretic hormone Diacetate Argipressine [INN-French] beta Hypophamine D0N4OW DSSTox_RID_82752 Monarch Brand of Vasopressin Pitressin tannate (TN) 113A791 Vasophysin 8-L-Arginine vasopressin Y4907O6MFD Antidiuretic Hormones Arginine-8-vasopressin Argipressin tannate [USAN] AVP CHEBI:34543 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) 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] 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- American Regent Brand of Vasopressin [Arg8]-Vasopressin Arginine vasopressin Argipressin Diacetate Argipressinum beta-Hypophamine DSSTox_CID_28324 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 [3H]arginine vasopressin Arg-vasopressin Arginine-8-vasopressin Diacetate Argipressin [INN:BAN] AVP Diacetate 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 AKOS030529553 [8-Arginine]vasopressin Arginine antidiuretic hormone Argipresina Argipressine BDBM50044777 D02983 Leiormone Diacetate 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 [ 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
Activity	13.9 U/mg	PMID17300166	ChEMBL
EC50	8.3 nM	PMID21428295	BindingDB,ChEMBL
EC50	15.0 nM	PMID21688787	BindingDB,ChEMBL
EC50	15.14 nM	PMID21688787	ChEMBL
EC50	22.0 nM	PMID24874785	BindingDB,ChEMBL
EC50	41.0 nM	PMID21117646	ChEMBL
Emax	27.5 %	PMID21428295	ChEMBL
Ki	0.501187 - 50.1187 nM	PMID12446593, PMID15084136, PMID10519430, PMID7774575, PMID11337500, PMID16158071, PMID7475979, PMID8955347	IUPHAR
Ki	1.65 nM	PMID22984902	BindingDB,ChEMBL
Ki	1.7 nM	PMID21428295	BindingDB,ChEMBL
Ki	12.0 nM	PMID21117646	ChEMBL

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