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Ligand

NameCHEMBL2371830
Molecular formulaC22H31N6O5+
IUPAC name1-[(5S)-6-[(2S)-2-carbamoylpyrrolidin-1-yl]-6-oxo-5-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]hexyl]pyridin-1-ium-3-carboxamide
Molecular weight459.527
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP-2.0
SynonymsN/A
Inchi KeyGZHUROBPKHYTPP-ULQDDVLXSA-O
Inchi IDInChI=1S/C22H30N6O5/c23-19(30)14-5-3-11-27(13-14)10-2-1-6-16(26-21(32)15-8-9-18(29)25-15)22(33)28-12-4-7-17(28)20(24)31/h3,5,11,13,15-17H,1-2,4,6-10,12H2,(H5-,23,24,25,26,29,30,31,32)/p+1/t15-,16-,17-/m0/s1
PubChem CID73345597
ChEMBLCHEMBL2371830
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
109035Thyrotropin-releasing hormone receptorQ01717TrhrRattus norvegicus (Rat)412

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