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Ligand

NameCHEMBL3622801
Molecular formulaC38H66N8O8Si
IUPAC name(2S)-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]-4-methylpentanoic acid
Molecular weight791.079
Hydrogen bond acceptor11
Hydrogen bond donor9
XlogPNone
SynonymsBDBM50124146
Inchi KeySXNKGENAHNQHOV-JNRWAQIZSA-N
Inchi IDInChI=1S/C38H66N8O8Si/c1-24(2)21-30(38(53)54)44-35(50)31(23-55(3,4)5)45-34(49)29(22-25-14-16-26(47)17-15-25)43-36(51)32-13-10-20-46(32)37(52)28(12-7-9-19-40)42-33(48)27(41)11-6-8-18-39/h14-17,24,27-32,47H,6-13,18-23,39-41H2,1-5H3,(H,42,48)(H,43,51)(H,44,50)(H,45,49)(H,53,54)/t27-,28-,29-,30-,31-,32-/m0/s1
PubChem CID122192055
ChEMBLCHEMBL3622801
IUPHARN/A
BindingDB50124146
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
503099Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418
503100Neurotensin receptor type 1P20789Ntsr1Rattus norvegicus (Rat)424
503101Neurotensin receptor type 2O95665NTSR2Homo sapiens (Human)410

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