neurotensin   Click here for help

GtoPdb Ligand ID: 1579

Synonyms: NT
Compound class: Endogenous peptide in human, mouse or rat
Comment: Note that the sequence for bovine neurotensin is the same as the human and rodent peptides.
Species: Human, Mouse, Rat, Bovine
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Ligand Activity Visualisation Charts

These are box plot that provide a unique visualisation, summarising all the activity data for a ligand taken from ChEMBL and GtoPdb across multiple targets and species. Click on a plot to see the median, interquartile range, low and high data points. A value of zero indicates that no data are available. A separate chart is created for each target, and where possible the algorithm tries to merge ChEMBL and GtoPdb targets by matching them on name and UniProt accession, for each available species. However, please note that inconsistency in naming of targets may lead to data for the same target being reported across multiple charts.

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View interactive charts of activity data across species

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View more information in the IUPHAR Pharmacology Education Project: neurotensin

2D Structure
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2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

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SMILES / InChI / InChIKey
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SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

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Canonical SMILES NCCCCC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(C)C)C(CC)C)Cc1ccc(cc1)O)CCCN=C(N)N)CCCN=C(N)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCC(=O)N1)CC(C)C)Cc1ccc(cc1)O)CCC(=O)O)CC(=O)N
Isomeric SMILES NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)[C@H](CC)C)Cc1ccc(cc1)O)CCCN=C(N)N)CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)CC(C)C)Cc1ccc(cc1)O)CCC(=O)O)CC(=O)N
InChI InChI=1S/C78H121N21O20/c1-7-43(6)63(73(115)96-57(76(118)119)37-42(4)5)97-70(112)55(39-45-21-25-47(101)26-22-45)95-72(114)59-18-13-35-99(59)75(117)52(16-11-33-86-78(83)84)90-64(106)48(15-10-32-85-77(81)82)89-71(113)58-17-12-34-98(58)74(116)51(14-8-9-31-79)91-69(111)56(40-60(80)102)94-66(108)50(28-30-62(104)105)88-68(110)54(38-44-19-23-46(100)24-20-44)93-67(109)53(36-41(2)3)92-65(107)49-27-29-61(103)87-49/h19-26,41-43,48-59,63,100-101H,7-18,27-40,79H2,1-6H3,(H2,80,102)(H,87,103)(H,88,110)(H,89,113)(H,90,106)(H,91,111)(H,92,107)(H,93,109)(H,94,108)(H,95,114)(H,96,115)(H,97,112)(H,104,105)(H,118,119)(H4,81,82,85)(H4,83,84,86)/t43-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,63-/m0/s1
InChI Key PCJGZPGTCUMMOT-ISULXFBGSA-N
Classification Click here for help
Compound class Endogenous peptide in human, mouse or rat
Ligand families/groups Neuropeptides
IUPAC Name Click here for help
(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-4-carboxy-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Synonyms Click here for help
NT
Gene/Precursor Click here for help
Gene symbol Gene name Species Precursor protein name Synonyms
NTS neurotensin Human pro-neurotensin/neuromedin neuromedin N
Nts neurotensin Mouse pro-neurotensin/neuromedin neuromedin N, NMN-125, NT/N, NTS1
Nts neurotensin Rat pro-neurotensin/neuromedin LOC299757, neuromedin N, neurotensin, neurotensin/neuromedin N, neurotensin/neuromedin N gene
NTS neurotensin Bovine pro-neurotensin/neuromedin N -
Database Links Click here for help
Specialist databases
GPCRdb Ligand neurotensin
Other databases
CAS Registry No. 55508-42-4 (source: Scifinder)
ChEMBL Ligand CHEMBL407196
Ensembl Gene ENSBTAG00000005305 (Bt), ENSG00000133636 (Hs)
GtoPdb PubChem SID 135651816
Human Protein Atlas ENSG00000133636 (Hs)
PubChem CID 25077406
Search Google for chemical match using the InChIKey PCJGZPGTCUMMOT-ISULXFBGSA-N
Search Google for chemicals with the same backbone PCJGZPGTCUMMOT
UniChem Compound Search for chemical match using the InChIKey PCJGZPGTCUMMOT-ISULXFBGSA-N
UniChem Connectivity Search for chemical match using the InChIKey PCJGZPGTCUMMOT-ISULXFBGSA-N
UniProtKB P20068 (Rn), Q9D3P9 (Mm), P30990 (Hs), P01156 (Bt)
Wikipedia Neurotensin