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Ligand

NameMLS000834729
Molecular formulaC21H34N4O4
IUPAC nametert-butyl (2S)-4-methyl-2-[[5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]pentanoate
Molecular weight406.527
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.4
SynonymsHMS2224F04
CHEMBL1332801
SMR000463874
Inchi KeyADTZWSGOGAWRAJ-HNNXBMFYSA-N
Inchi IDInChI=1S/C21H34N4O4/c1-13(2)11-15(20(28)29-21(4,5)6)24-18(26)16-17(23-12-22-16)19(27)25-9-7-14(3)8-10-25/h12-15H,7-11H2,1-6H3,(H,22,23)(H,24,26)/t15-/m0/s1
PubChem CID16746582
ChEMBLCHEMBL1332801
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
463254Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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