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soralimixin   Click here for help

GtoPdb Ligand ID: 14372

Synonyms: BRII-693 | F365 | QPX9003
Compound class: Peptide
Comment: Soralimixin is a lipopeptide with activity against Gram-negative bacteria. It is a polymyxin analogue, rationally designed to overcome the clinical limitations of this class of antibacterial compounds [1].
Structure match for the INN soralimixin is included in WHO proposed list 134 (Feb 2026).
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@H]1C(=O)N[C@@H](CCN)C(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC[C@@H](C(=O)N[C@@H](CCN)C(=O)N[C@H](CC(C)C)C(=O)N1)NC(=O)[C@H](CN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)C2=CC=C(C=C2Cl)Cl
Isomeric SMILES CC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CC(C)C)CCN)NC(=O)[C@H](CN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)C2=C(C=C(C=C2)Cl)Cl)[C@@H](C)O)CCN)CCN
InChI InChI=1S/C48H80Cl2N16O13/c1-6-28-39(70)59-29(9-14-51)40(71)61-32(12-17-54)44(75)65-36(23(4)67)47(78)56-18-13-33(42(73)60-30(10-15-52)41(72)63-34(19-22(2)3)45(76)57-28)62-46(77)35(21-55)64-48(79)37(24(5)68)66-43(74)31(11-16-53)58-38(69)26-8-7-25(49)20-27(26)50/h7-8,20,22-24,28-37,67-68H,6,9-19,21,51-55H2,1-5H3,(H,56,78)(H,57,76)(H,58,69)(H,59,70)(H,60,73)(H,61,71)(H,62,77)(H,63,72)(H,64,79)(H,65,75)(H,66,74)/t23-,24-,28+,29+,30+,31+,32+,33+,34-,35+,36+,37+/m1/s1
InChI Key XRXBRIQKVLXFMJ-BCLXPCSMSA-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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Canonical SMILES Download
Isomeric SMILES Download
InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel