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Ligand

NameSMR000600564
Molecular formulaC27H29FN4O4
IUPAC nameN'-benzyl-N'-[1-(4-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
Molecular weight492.551
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.2
SynonymsAC1MKJFO
AKOS000781387
ASN 05392360
CHEMBL1876126
HMS2918C15
[ Show all ]
Inchi KeyABFHJJFKOAFEMW-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H29FN4O4/c1-36-18-17-30-27(35)26(21-10-12-22(28)13-11-21)32(19-20-7-3-2-4-8-20)25(34)15-14-24(33)31-23-9-5-6-16-29-23/h2-13,16,26H,14-15,17-19H2,1H3,(H,30,35)(H,29,31,33)
PubChem CID3205162
ChEMBLCHEMBL1876126
IUPHARN/A
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
463047Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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