galanin(3-29) (rat/mouse)   Click here for help

GtoPdb Ligand ID: 6092

Compound class: Peptide
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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
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.

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

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Canonical SMILES NCCCCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)O)C(O)C)CC(C)C)Cc1nc[nH]c1)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)N)CC(C)C)CC(=O)N)CO)C)CC(C)C)CC(C)C)Cc1nc[nH]c1)C)CC(=O)O)CC(=O)N)Cc1nc[nH]c1)CCCN=C(N)N)CO)Cc1ccccc1)CO)CC(=O)O
Isomeric SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)O)[C@@H](C)O
InChI InChI=1S/C128H197N39O40/c1-15-64(10)102(165-105(184)66(12)146-110(189)84(42-72-49-136-58-143-72)159-124(203)93-27-22-34-167(93)98(178)53-141-106(185)77(35-60(2)3)151-111(190)79(37-62(6)7)152-113(192)81(40-70-28-30-74(173)31-29-70)148-96(176)51-139-104(183)65(11)145-121(200)90(54-168)163-117(196)87(45-95(131)175)156-112(191)80(38-63(8)9)160-125(204)101(132)67(13)171)126(205)161-89(47-100(181)182)119(198)157-86(44-94(130)174)116(195)155-85(43-73-50-137-59-144-73)115(194)150-76(26-21-33-138-128(133)134)109(188)162-91(55-169)122(201)153-82(39-69-23-17-16-18-24-69)114(193)164-92(56-170)123(202)158-88(46-99(179)180)118(197)149-75(25-19-20-32-129)108(187)154-83(41-71-48-135-57-142-71)107(186)140-52-97(177)147-78(36-61(4)5)120(199)166-103(68(14)172)127(206)207/h16-18,23-24,28-31,48-50,57-68,75-93,101-103,168-173H,15,19-22,25-27,32-47,51-56,129,132H2,1-14H3,(H2,130,174)(H2,131,175)(H,135,142)(H,136,143)(H,137,144)(H,139,183)(H,140,186)(H,141,185)(H,145,200)(H,146,189)(H,147,177)(H,148,176)(H,149,197)(H,150,194)(H,151,190)(H,152,192)(H,153,201)(H,154,187)(H,155,195)(H,156,191)(H,157,198)(H,158,202)(H,159,203)(H,160,204)(H,161,205)(H,162,188)(H,163,196)(H,164,193)(H,165,184)(H,166,199)(H,179,180)(H,181,182)(H,206,207)(H4,133,134,138)/t64-,65-,66-,67+,68+,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,101-,102-,103-/m0/s1
InChI Key OEYNEKWXIPNQHZ-VFYYSKAESA-N

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
References
1. Bloomquist BT, Beauchamp MR, Zhelnin L, Brown SE, Gore-Willse AR, Gregor P, Cornfield LJ. (1998)
Cloning and expression of the human galanin receptor GalR2.
Biochem Biophys Res Commun, 243 (2): 474-9. [PMID:9480833]
2. Howard AD, Tan C, Shiao LL, Palyha OC, McKee KK, Weinberg DH, Feighner SD, Cascieri MA, Smith RG, Van Der Ploeg LH et al.. (1997)
Molecular cloning and characterization of a new receptor for galanin.
FEBS Lett, 405 (3): 285-90. [PMID:9108306]
3. Pang L, Hashemi T, Lee HJ, Maguire M, Graziano MP, Bayne M, Hawes B, Wong G, Wang S. (1998)
The mouse GalR2 galanin receptor: genomic organization, cDNA cloning, and functional characterization.
J Neurochem, 71 (6): 2252-9. [PMID:9832122]
4. Sullivan KA, Shiao LL, Cascieri MA. (1997)
Pharmacological characterization and tissue distribution of the human and rat GALR1 receptors.
Biochem Biophys Res Commun, 233 (3): 823-8. [PMID:9168941]
5. Wang S, Ghibaudi L, Hashemi T, He C, Strader C, Bayne M, Davis H, Hwa JJ. (1998)
The GalR2 galanin receptor mediates galanin-induced jejunal contraction, but not feeding behavior, in the rat: differentiation of central and peripheral effects of receptor subtype activation.
FEBS Lett, 434 (3): 277-82. [PMID:9742938]
6. Wang S, He C, Hashemi T, Bayne M. (1997)
Cloning and expressional characterization of a novel galanin receptor. Identification of different pharmacophores within galanin for the three galanin receptor subtypes.
J Biol Chem, 272 (51): 31949-52. [PMID:9405385]