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Ligand

NameCHEMBL3622804
Molecular formulaC40H72N8O8Si2
IUPAC name(2S)-2-[[(2R)-2-[[(2S)-2-[[(5R)-1-[(2S)-6-amino-2-[[(2S)-2,7-diaminoheptanoyl]amino]hexanoyl]-3,3-dimethyl-1,3-azasilolidine-5-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-trimethylsilylpropanoyl]amino]-4-methylpentanoic acid
Molecular weight849.234
Hydrogen bond acceptor11
Hydrogen bond donor9
XlogPNone
SynonymsBDBM50124138
Inchi KeyJKNYDBWUVJUVPS-CVUOCSEZSA-N
Inchi IDInChI=1S/C40H72N8O8Si2/c1-26(2)21-32(40(55)56)46-37(52)33(23-57(3,4)5)47-36(51)31(22-27-15-17-28(49)18-16-27)45-38(53)34-24-58(6,7)25-48(34)39(54)30(14-10-12-20-42)44-35(50)29(43)13-9-8-11-19-41/h15-18,26,29-34,49H,8-14,19-25,41-43H2,1-7H3,(H,44,50)(H,45,53)(H,46,52)(H,47,51)(H,55,56)/t29-,30-,31-,32-,33-,34-/m0/s1
PubChem CID122192058
ChEMBLCHEMBL3622804
IUPHARN/A
BindingDB50124138
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
481835Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418
481836Neurotensin receptor type 1P20789Ntsr1Rattus norvegicus (Rat)424
481837Neurotensin receptor type 2O95665NTSR2Homo sapiens (Human)410

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