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Ligand

NameCHEMBL258221
Molecular formulaC38H64N8O8
IUPAC name(2S)-2-[[(2S,3S)-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-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight760.978
Hydrogen bond acceptor11
Hydrogen bond donor9
XlogP-2.1
SynonymsH-LYS-LYS-PRO-TYR-ILE-LEU-OH
(S)-2-((2S,3S)-2-((S)-2-((S)-1-((S)-6-amino-2-((S)-2,6-diaminohexanamido)hexanoyl)pyrrolidine-2-carboxamido)-3-(4-hydroxyphenyl)propanamido)-3-methylpentanamido)-4-methylpentanoic acid
NCGC00167231-01
(Lys8,lys9)-neurotensin(8-13)
ZINC95607808
[ Show all ]
Inchi KeyJDVIBJLNEIKOTF-VDXNIVNJSA-N
Inchi IDInChI=1S/C38H64N8O8/c1-5-24(4)32(36(51)44-30(38(53)54)21-23(2)3)45-34(49)29(22-25-14-16-26(47)17-15-25)43-35(50)31-13-10-20-46(31)37(52)28(12-7-9-19-40)42-33(48)27(41)11-6-8-18-39/h14-17,23-24,27-32,47H,5-13,18-22,39-41H2,1-4H3,(H,42,48)(H,43,50)(H,44,51)(H,45,49)(H,53,54)/t24-,27-,28-,29-,30-,31-,32-/m0/s1
PubChem CID24868215
ChEMBLCHEMBL258221
IUPHARN/A
BindingDB50342242
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
148524Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418
148523Neurotensin receptor type 2O95665NTSR2Homo sapiens (Human)410

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