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Ligand

NameCHEMBL388812
Molecular formulaC20H30N6O4
IUPAC name(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propan-2-yl-1H-imidazol-5-yl)propan-2-yl]-6-oxopiperidine-2-carboxamide
Molecular weight418.498
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP-0.9
SynonymsBDBM50196456
(2S)-1-[(2S)-2-(2S)-6-oxohexahydro-2-pyridinylcarboxamido]-3-(2-isopropyl-1H-imidazolyl)propanoyl]-azalone-2-carboxamide
Inchi KeyHMHUEOPFYVPOJC-KKUMJFAQSA-N
Inchi IDInChI=1S/C20H30N6O4/c1-11(2)18-22-10-12(23-18)9-14(20(30)26-8-4-6-15(26)17(21)28)25-19(29)13-5-3-7-16(27)24-13/h10-11,13-15H,3-9H2,1-2H3,(H2,21,28)(H,22,23)(H,24,27)(H,25,29)/t13-,14-,15-/m0/s1
PubChem CID44422085
ChEMBLCHEMBL388812
IUPHARN/A
BindingDB50196456
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
118613Thyrotropin-releasing hormone receptorP34981TRHRHomo sapiens (Human)398

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