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Ligand

Nameorlistat
Molecular formulaC29H53NO5
IUPAC name[(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl] (2S)-2-formamido-4-methylpentanoate
Molecular weight495.745
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP10.0
Synonyms1-((3-hexyl-4-oxo-2-oxetanyl)methyl)dodecyl-2-formamido-4-methylvalerate
R-212
AB00639987_10
Roche brand of orlistat
AN-15658
[ Show all ]
Inchi KeyAHLBNYSZXLDEJQ-FWEHEUNISA-N
Inchi IDInChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1
PubChem CID3034010
ChEMBLCHEMBL175247
IUPHARN/A
BindingDB24567
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5653Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
5654Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360

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