NPY-(2-36)   Click here for help

GtoPdb Ligand ID: 1549

Synonyms: neuropeptide Y (2-36)
Compound class: Peptide
Comment: Synthetic fragment of NPY. N.B. the amino acid sequence of NPY is common across human and rodent species
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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)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1ccc(cc1)O)CCCN=C(N)N)CCC(=O)N)CCCN=C(N)N)C(O)C)C(CC)C)CC(C)C)CC(=O)N)C(CC)C)Cc1ccc(cc1)O)Cc1nc[nH]c1)CCCN=C(N)N)CC(C)C)C)CO)Cc1ccc(cc1)O)Cc1ccc(cc1)O)CCCN=C(N)N)C)CCSC)CC(=O)O)CCC(=O)O)C)C)CC(=O)O)CCC(=O)O)CC(=O)N)CC(=O)O)NC(=O)C(NC(=O)C1CCCN1)CO
Isomeric SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC
InChI InChI=1S/C180H275N53O56S/c1-15-88(7)140(170(282)223-120(76-132(183)242)160(272)215-115(70-87(5)6)163(275)229-141(89(8)16-2)171(283)230-142(94(13)236)172(284)212-108(32-23-64-198-180(191)192)148(260)210-110(52-55-131(182)241)153(265)208-107(31-22-63-197-179(189)190)151(263)225-125(176(288)289)74-98-42-50-103(240)51-43-98)228-164(276)118(73-97-40-48-102(239)49-41-97)218-159(271)119(75-99-81-193-85-200-99)219-150(262)106(30-21-62-196-178(187)188)209-156(268)114(69-86(3)4)214-145(257)91(10)202-165(277)126(83-234)227-158(270)117(72-96-38-46-101(238)47-39-96)217-157(269)116(71-95-36-44-100(237)45-37-95)216-149(261)105(29-20-61-195-177(185)186)206-143(255)90(9)201-147(259)112(58-68-290-14)211-161(273)122(79-138(251)252)221-154(266)111(54-57-136(247)248)207-144(256)92(11)203-168(280)129-34-25-65-231(129)173(285)93(12)204-155(267)121(78-137(249)250)220-152(264)109(53-56-135(245)246)205-134(244)82-199-167(279)128-33-24-66-232(128)175(287)124(77-133(184)243)224-162(274)123(80-139(253)254)222-169(281)130-35-26-67-233(130)174(286)113(27-17-18-59-181)213-166(278)127(84-235)226-146(258)104-28-19-60-194-104/h36-51,81,85-94,104-130,140-142,194,234-240H,15-35,52-80,82-84,181H2,1-14H3,(H2,182,241)(H2,183,242)(H2,184,243)(H,193,200)(H,199,279)(H,201,259)(H,202,277)(H,203,280)(H,204,267)(H,205,244)(H,206,255)(H,207,256)(H,208,265)(H,209,268)(H,210,260)(H,211,273)(H,212,284)(H,213,278)(H,214,257)(H,215,272)(H,216,261)(H,217,269)(H,218,271)(H,219,262)(H,220,264)(H,221,266)(H,222,281)(H,223,282)(H,224,274)(H,225,263)(H,226,258)(H,227,270)(H,228,276)(H,229,275)(H,230,283)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,288,289)(H4,185,186,195)(H4,187,188,196)(H4,189,190,197)(H4,191,192,198)/t88-,89-,90-,91-,92-,93-,94+,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,140-,141-,142-/m0/s1
InChI Key KUMVUFICIDUBDZ-ZVYVYBDNSA-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. Gehlert DR, Schober DA, Gackenheimer SL, Beavers L, Gadski R, Lundell I, Larhammar D. (1997)
[125I]Leu31, Pro34-PYY is a high affinity radioligand for rat PP1/Y4 and Y1 receptors: evidence for heterogeneity in pancreatic polypeptide receptors.
Peptides, 18 (3): 397-401. [PMID:9145427]
2. Gerald C, Walker MW, Vaysse PJ, He C, Branchek TA, Weinshank RL. (1995)
Expression cloning and pharmacological characterization of a human hippocampal neuropeptide Y/peptide YY Y2 receptor subtype.
J Biol Chem, 270 (45): 26758-61. [PMID:7592910]
3. Gregor P, Millham ML, Feng Y, DeCarr LB, McCaleb ML, Cornfield LJ. (1996)
Cloning and characterization of a novel receptor to pancreatic polypeptide, a member of the neuropeptide Y receptor family.
FEBS Lett, 381: 58-62. [PMID:8641440]
4. Hu Y, Bloomquist BT, Cornfield LJ, DeCarr LB, Flores-Riveros JR, Friedman L, Jiang P, Lewis-Higgins L, Sadlowski Y, Schaefer J et al.. (1996)
Identification of a novel hypothalamic neuropeptide Y receptor associated with feeding behavior.
J Biol Chem, 271 (42): 26315-9. [PMID:8824284]