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Ligand

NameDESMOPRESSIN
Molecular formulaC46H64N14O12S2
IUPAC nameN-[1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[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]pyrrolidine-2-carboxamide
Molecular weight1069.22
Hydrogen bond acceptor15
Hydrogen bond donor13
XlogP-4.0
SynonymsC06944
D0Y7SJ
Desmopressinum
L001026
N-[1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-1-[[7-(2-azanyl-2-oxidanylidene-ethyl)-10-(3-azanyl-3-oxidanylidene-propyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentakis(oxidanylidene)-13-(phe
[ Show all ]
Inchi KeyNFLWUMRGJYTJIN-UHFFFAOYSA-N
Inchi IDInChI=1S/C46H64N14O12S2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52)
PubChem CID27991
ChEMBLN/A
IUPHAR2182, 2181
BindingDB85094
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: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
554377Oxytocin receptorP30559OXTRHomo sapiens (Human)389
554374Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418
554375Vasopressin V1a receptorP30560Avpr1aRattus norvegicus (Rat)424
222064Vasopressin V1b receptorP48974Avpr1bRattus norvegicus (Rat)425
554376Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424
222061Vasopressin V2 receptorQ00788Avpr2Rattus norvegicus (Rat)371
554378Vasopressin V2 receptorP30518AVPR2Homo sapiens (Human)371

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