meso-DAP   Click here for help

GtoPdb Ligand ID: 5021

Synonyms: meso-diaminopimeilic acid
PDB Ligand
Comment: Diaminopimelic acid (DAP) is an amino acid, representing an epsilon-carboxy derivative of lysine. DAP is characteristic of cell walls of some bacteria.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 6
Topological polar surface area 126.64
Molecular weight 190.1
XLogP -3.46
No. Lipinski's rules broken 0
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Canonical SMILES NC(C(=O)O)CCCC(C(=O)O)N
Isomeric SMILES N[C@H](C(=O)O)CCC[C@H](C(=O)O)N
InChI InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5+
Selectivity at catalytic receptors
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
nucleotide binding oligomerization domain containing 1 Hs Agonist Agonist - - -