A-196   Click here for help

GtoPdb Ligand ID: 8949

PDB Ligand
Compound class: Synthetic organic
Comment: A-196 is a selective chemical probe for the methyltransferases suppressor of variegation 4-20 homologs 1 and 2 (SUV420H1 and SUV420H2), and is one of the compounds available from the Structural Genomics Consortium's epigenetic probes set. It was developed in collaboration with AbbVie.
SUV420H1 and SUV420H2 are responsible for di- and tri-methylating lysine 20 of histone H4 (H4K20).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 50.7
Molecular weight 358.08
XLogP 4.86
No. Lipinski's rules broken 0
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Canonical SMILES Clc1cc2c(nnc(c2cc1Cl)NC1CCCC1)c1ccncc1
Isomeric SMILES Clc1cc2c(nnc(c2cc1Cl)NC1CCCC1)c1ccncc1
InChI InChI=1S/C18H16Cl2N4/c19-15-9-13-14(10-16(15)20)18(22-12-3-1-2-4-12)24-23-17(13)11-5-7-21-8-6-11/h5-10,12H,1-4H2,(H,22,24)
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Compound class Synthetic organic
IUPAC Name Click here for help
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GtoPdb PubChem SID 310264730
PubChem CID 117072548
RCSB PDB Ligand 539
Search Google for chemical match using the InChIKey ABGOSOMRWSYAOB-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ABGOSOMRWSYAOB
UniChem Compound Search for chemical match using the InChIKey ABGOSOMRWSYAOB-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey ABGOSOMRWSYAOB-UHFFFAOYSA-N

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A 196 (links to external site)
Cat. No. 6167