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Ligand

NameCHEMBL3622805
Molecular formulaC39H68N10O8Si
IUPAC name(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-trimethylsilylpropanoyl]amino]-4-methylpentanoic acid
Molecular weight833.12
Hydrogen bond acceptor11
Hydrogen bond donor10
XlogPNone
SynonymsBDBM50124141
Inchi KeyJXXKKBSAIYYKNT-JNRWAQIZSA-N
Inchi IDInChI=1S/C39H68N10O8Si/c1-24(2)21-30(38(56)57)47-35(53)31(23-58(4,5)6)48-34(52)29(22-25-14-16-26(50)17-15-25)46-36(54)32-13-10-20-49(32)37(55)28(11-7-8-18-40)45-33(51)27(43-3)12-9-19-44-39(41)42/h14-17,24,27-32,43,50H,7-13,18-23,40H2,1-6H3,(H,45,51)(H,46,54)(H,47,53)(H,48,52)(H,56,57)(H4,41,42,44)/t27-,28-,29-,30-,31-,32-/m0/s1
PubChem CID122192059
ChEMBLCHEMBL3622805
IUPHARN/A
BindingDB50124141
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
482997Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418
482998Neurotensin receptor type 1P20789Ntsr1Rattus norvegicus (Rat)424
482996Neurotensin receptor type 2O95665NTSR2Homo sapiens (Human)410

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