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[125I]GnRH II (human)   Click here for help

GtoPdb Ligand ID: 3787

Synonyms: [125I]-GnRH II | [125I]-gonadotropin-releasing hormone II
 Ligand is labelled  Ligand is radioactive
Compound class: Peptide
Comment: Iodinated GnRH II is used in research laboratories, primarily in radio-ligand binding studies.
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 OCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NCC(=O)N)Cc1ccc(cc1)O)Cc1c[nH]c2c1cccc2)Cc1nc[nH]c1)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C1CCC(=O)N1)Cc1nc[nH]c1
Isomeric SMILES NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1
InChI InChI=1S/C60H69N17O13/c61-50(80)27-66-59(89)49-10-5-17-77(49)60(90)47(18-32-11-13-37(79)14-12-32)75-55(85)43(19-33-23-64-40-8-3-1-6-38(33)40)71-52(82)28-67-53(83)45(21-35-25-62-30-68-35)73-58(88)48(29-78)76-56(86)44(20-34-24-65-41-9-4-2-7-39(34)41)72-57(87)46(22-36-26-63-31-69-36)74-54(84)42-15-16-51(81)70-42/h1-4,6-9,11-14,23-26,30-31,42-49,64-65,78-79H,5,10,15-22,27-29H2,(H2,61,80)(H,62,68)(H,63,69)(H,66,89)(H,67,83)(H,70,81)(H,71,82)(H,72,87)(H,73,88)(H,74,84)(H,75,85)(H,76,86)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
InChI Key JNVXACSECVMTSD-XJIZABAQSA-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
XHWSHGWYPG
pGlu-His-Trp-Ser-His-Gly-Trp-Tyr-Pro-Gly-NH2
Download 2D Structure Click here for help
Canonical SMILES Download
Isomeric SMILES Download
InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel