Ligand

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Ligand Name:   1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
HET ID:   IWH PubChem:   49835969
DrugBank:   - ChEMBL:   CHEMBL1233696
Canonical SMILES:   Cc1ccc(c(c1)C)Cn1cc(ccc1=O)C(=O)N
Standard InChI:   InChI=1S/C15H16N2O2/c1-10-3-4-12(11(2)7-10)8-17-9-13(15(16)19)5-6-14(17)18/h3-7,9H,8H2,1-2H3,(H2,16,19)
Molecular Formula:   C15H16N2O2 Mol. Weight:   256.29974 Heavy Atoms:   19
Charge:   0 Is Chiral:   False logP:   2.3126
HBD:   1 HBA:   4 TPSA:   65.09
#Bonds:   20 #Rotatable Bonds:   3 Shape Complexity:   0.2
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
DNA ligase P43813 (DNLJ_HAEIN) Haemophilus influenzae 4UCV
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SHOW
DNA ligase P43813 (DNLJ_HAEIN) Haemophilus influenzae 4UFZ
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SHOW