MALONIC ACID (MLA)


PDB sources



PDB codePDB chainResidue IDSearch similar Structures
1S0YB101search
1S0YD102search
1S0YF103search
1S0YH104search
1S0YJ105search
1S0YL106search
1PQH 390search
1PQH 391search
1PQH 392search
1NU4 400search
12345

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Formula: C3 H4 O4
Number of non-H atoms: 7
Number of rotable bonds: 2
Structure derived from PDB-ID: 1PQH

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Binding information

Entities in PDB: 114 create list
Unbound: 105 create list
Bonds to polypeptide chain: 9 create list

details
Bonds to other ligands: 0 create list

details
Part of main chain: 0 create list
Part of polynucleotide chain: 0 create list

Trend to lie in pockets: 3.30748

Binding site properties:

Here you can see the statistical amino acid composition of the binding site in comparison to the protein surface. Sorry statistic not available.

Further information

Lipinski's Rule of Five

This Compound is "drug like" based on this criteria

Number of Acceptors (<=10) 4
Number of Donors (<=5) 2
Molecular Weight (<=500) 104.0610
log P-Value (<=5) -0.45430

String Representations

(Canonical) SMILES:
InChI: