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Ligand

NameCHEMBL3622806
Molecular formulaC39H68N8O8Si
IUPAC name(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(5R)-1-[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]-3,3-dimethyl-1,3-azasilolidine-5-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight805.106
Hydrogen bond acceptor11
Hydrogen bond donor9
XlogPNone
SynonymsBDBM50124143
N-[[(5R)-1-(L-Lys-L-Lys-)-3,3-Dimethyl-1-aza-3-silacyclopentane-5beta-yl]carbonyl]-L-Tyr-L-Ile-L-Leu-OH
Inchi KeyKCJQSOXJEGOSQZ-GCNYMACQSA-N
Inchi IDInChI=1S/C39H68N8O8Si/c1-7-25(4)33(37(52)45-31(39(54)55)20-24(2)3)46-35(50)30(21-26-14-16-27(48)17-15-26)44-36(51)32-22-56(5,6)23-47(32)38(53)29(13-9-11-19-41)43-34(49)28(42)12-8-10-18-40/h14-17,24-25,28-33,48H,7-13,18-23,40-42H2,1-6H3,(H,43,49)(H,44,51)(H,45,52)(H,46,50)(H,54,55)/t25-,28-,29-,30-,31-,32-,33-/m0/s1
PubChem CID101171051
ChEMBLCHEMBL3622806
IUPHARN/A
BindingDB50124143
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
483384Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418
483383Neurotensin receptor type 2O95665NTSR2Homo sapiens (Human)410

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