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Ligand

NameCHEMBL254770
Molecular formulaC38H64N8O8
IUPAC name(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]-[(4-hydroxyphenyl)methyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight760.978
Hydrogen bond acceptor11
Hydrogen bond donor8
XlogP-0.9
SynonymsBDBM50342267
Lys-Lys-Pro-NTyr-Ile-Leu-OH
(S)-2-((2S,3S)-2-(2-((S)-1-((S)-6-amino-2-((S)-2,6-diaminohexanamido)hexanoyl)-N-(4-hydroxybenzyl)pyrrolidine-2-carboxamido)acetamido)-3-methylpentanamido)-4-methylpentanoic acid
Inchi KeyOUUOBYJEZVVMSL-KECVWQCXSA-N
Inchi IDInChI=1S/C38H64N8O8/c1-5-25(4)33(35(50)43-30(38(53)54)21-24(2)3)44-32(48)23-45(22-26-14-16-27(47)17-15-26)37(52)31-13-10-20-46(31)36(51)29(12-7-9-19-40)42-34(49)28(41)11-6-8-18-39/h14-17,24-25,28-31,33,47H,5-13,18-23,39-41H2,1-4H3,(H,42,49)(H,43,50)(H,44,48)(H,53,54)/t25-,28-,29-,30-,31-,33-/m0/s1
PubChem CID44447865
ChEMBLCHEMBL254770
IUPHARN/A
BindingDB50342267
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.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
250878Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418
250879Neurotensin receptor type 2O95665NTSR2Homo sapiens (Human)410

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