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TYRA-200   Click here for help

GtoPdb Ligand ID: 14207

Synonyms: example 181 [WO2022182972]
Compound class: Synthetic organic
Comment: TYRA-200 is a covalent FGFR inhibitor.
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 C=CC(=O)NC1=CC2=C(C=C1)N(C=C2C)C3=C(C=NC(=N3)NC4=CN(CC(C)(C)O)N=C4)F
Isomeric SMILES CC1=CN(C2=C1C=C(NC(=O)C=C)C=C2)C3=C(F)C=NC(NC4=CN(CC(C)(C)O)N=C4)=N3
InChI InChI=1S/C23H24FN7O2/c1-5-20(32)27-15-6-7-19-17(8-15)14(2)11-31(19)21-18(24)10-25-22(29-21)28-16-9-26-30(12-16)13-23(3,4)33/h5-12,33H,1,13H2,2-4H3,(H,27,32)(H,25,28,29)
InChI Key IMSVRBNZOZXJLS-UHFFFAOYSA-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/)