TK-HR peptide   Click here for help

GtoPdb Ligand ID: 13042

Synonyms: tachykinin-HR
Compound class: Peptide
Comment: This is an eleven amino acid (aa) linear peptide that was isolated from the skin of Hoplobatrachus Rugulosus frogs [1]. The peptide sequence is KPNPDRFYGLM-NH2. Its carboxy terminal region contains the tachykinin consensus sequence FxGLM. TK-HR is highly homologous to tachykinin peptides isolated from other frog species, Theloderma kwangsiensis (TK-The1; one aa difference) and Hyla simplex (TK-H1; 2 aa differences).
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 CC(C)C[C@@]([H])(C(=O)N[C@@]([H])(CCSC)C(=O)O)NC(=O)CNC(=O)[C@]([H])(CC1=CC=C(C=C1)O)NC(=O)[C@]([H])(CC2=CC=CC=C2)NC(=O)[C@]([H])(CCCNC(=N)N)NC(=O)[C@]([H])(CC(=O)O)NC(=O)[C@]3([H])CCCN3C(=O)[C@]([H])(CC(=O)N)NC(=O)[C@]4([H])CCCN4C(=O)[C@]([H])(CCCCN)N
Isomeric SMILES N[C@@]([H])(CCCCN)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CC(=O)N)C(=O)N2[C@@]([H])(CCC2)C(=O)N[C@@]([H])(CC(=O)O)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)N[C@@]([H])(CC3=CC=CC=C3)C(=O)N[C@@]([H])(CC4=CC=C(O)C=C4)C(=O)NCC(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(CCSC)C(=O)O
InChI InChI=1S/C61H92N16O16S/c1-34(2)28-41(53(85)71-40(60(92)93)22-27-94-3)69-49(80)33-68-51(83)42(30-36-18-20-37(78)21-19-36)72-54(86)43(29-35-12-5-4-6-13-35)73-52(84)39(15-9-24-67-61(65)66)70-55(87)44(32-50(81)82)74-56(88)47-17-11-26-77(47)59(91)45(31-48(64)79)75-57(89)46-16-10-25-76(46)58(90)38(63)14-7-8-23-62/h4-6,12-13,18-21,34,38-47,78H,7-11,14-17,22-33,62-63H2,1-3H3,(H2,64,79)(H,68,83)(H,69,80)(H,70,87)(H,71,85)(H,72,86)(H,73,84)(H,74,88)(H,75,89)(H,81,82)(H,92,93)(H4,65,66,67)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1
InChI Key HRAVGCUMTINGJJ-CIRMSXBNSA-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/)
Peptide Sequence Click here for help
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Isomeric SMILES Download
InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel