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Ligand

NameCHEMBL3622803
Molecular formulaC38H68N8O8Si2
IUPAC name(2R)-2-[[(2R)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-trimethylsilylpropanoyl]amino]-3-trimethylsilylpropanoic acid
Molecular weight821.18
Hydrogen bond acceptor11
Hydrogen bond donor9
XlogPNone
SynonymsBDBM50124135
Inchi KeyGHSASOSXURNENS-JNRWAQIZSA-N
Inchi IDInChI=1S/C38H68N8O8Si2/c1-55(2,3)23-30(35(50)45-31(38(53)54)24-56(4,5)6)44-34(49)29(22-25-15-17-26(47)18-16-25)43-36(51)32-14-11-21-46(32)37(52)28(13-8-10-20-40)42-33(48)27(41)12-7-9-19-39/h15-18,27-32,47H,7-14,19-24,39-41H2,1-6H3,(H,42,48)(H,43,51)(H,44,49)(H,45,50)(H,53,54)/t27-,28-,29-,30-,31-,32-/m0/s1
PubChem CID122192057
ChEMBLCHEMBL3622803
IUPHARN/A
BindingDB50124135
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
474852Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418
474853Neurotensin receptor type 1P20789Ntsr1Rattus norvegicus (Rat)424
474854Neurotensin receptor type 2O95665NTSR2Homo sapiens (Human)410

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