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Ligand

NameARGIPRESSIN
Molecular formulaC46H65N15O12S2
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 weight1084.24
Hydrogen bond acceptor16
Hydrogen bond donor14
XlogP-4.8
SynonymsArgipressin tannate (USAN)
Argipressinum [INN-Latin]
CAS-113-79-1
DSSTox_GSID_48349
Leiormone Diacetate
[ Show all ]
Inchi KeyKBZOIRJILGZLEJ-LGYYRGKSSA-N
Inchi IDInChI=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 CID644077
ChEMBLCHEMBL373742
IUPHAR2168
BindingDB35667, 50044777
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 10
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
165547Oxytocin receptorP70536OxtrRattus norvegicus (Rat)388
165548Oxytocin receptorP30559OXTRHomo sapiens (Human)389
165542Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418
165544Vasopressin V1a receptorP30560Avpr1aRattus norvegicus (Rat)424
165540Vasopressin V1b receptorP48974Avpr1bRattus norvegicus (Rat)425
165543Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424
165541Vasopressin V2 receptorQ00788Avpr2Rattus norvegicus (Rat)371
165545Vasopressin V2 receptorP30518AVPR2Homo sapiens (Human)371
165546Vasopressin V2 receptorP48044AVPR2Bos taurus (Bovine)370
165549Vasopressin V2 receptorP32307AVPR2Sus scrofa (Pig)370

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