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Ligand

NamePKR-A
Molecular formulaC26H34N2O4
IUPAC name4-benzyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-N-(2-methylpropyl)morpholine-2-carboxamide
Molecular weight438.568
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.8
SynonymsKQQGCZSZDMHKOX-UHFFFAOYSA-N
(+/-)-4-Benzyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-N-isobutylmorpholine-2-carboxamide
SCHEMBL387975
D03TIA
N-(3,4-dihydro-2H-1,5-benzodioxepin-8-ylmethyl)-N-(2-methylpropyl)-4-(phenylmethyl)morpholine-2-carboxamide
[ Show all ]
Inchi KeyKQQGCZSZDMHKOX-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H34N2O4/c1-20(2)16-28(18-22-9-10-23-24(15-22)31-13-6-12-30-23)26(29)25-19-27(11-14-32-25)17-21-7-4-3-5-8-21/h3-5,7-10,15,20,25H,6,11-14,16-19H2,1-2H3
PubChem CID16122905
ChEMBLN/A
IUPHAR6066
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
554171Prokineticin receptor 2Q8NFJ6PROKR2Homo sapiens (Human)384

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