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Ligand

NameCHEMBL307065
Molecular formulaC25H33N3O4
IUPAC name(3S)-5-phenyl-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]pent-4-ynoic acid
Molecular weight439.556
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP-0.8
SynonymsBDBM50083467
(S)-5-Phenyl-3-{[(R)-1-(3-piperidin-4-yl-propionyl)-piperidine-3-carbonyl]-amino}-pent-4-ynoic acid
Inchi KeyAFEBUYQIVROWSL-FGZHOGPDSA-N
Inchi IDInChI=1S/C25H33N3O4/c29-23(11-9-20-12-14-26-15-13-20)28-16-4-7-21(18-28)25(32)27-22(17-24(30)31)10-8-19-5-2-1-3-6-19/h1-3,5-6,20-22,26H,4,7,9,11-18H2,(H,27,32)(H,30,31)/t21-,22-/m1/s1
PubChem CID10741717
ChEMBLCHEMBL307065
IUPHARN/A
BindingDB50083467
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
4075Proteinase-activated receptor 1P25116F2RHomo sapiens (Human)425

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