Ligand |
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Ligand Name: N-[2-({[5-(DIMETHYLAMINO)NAPHTHALEN-1-YL]SULFONYL}AMINO)ETHYL]-2-IODOACETAMIDE | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB214 | PubChem: 49866503 | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: CHEMBL1230210 | |
Canonical SMILES: CN(C)c1cccc(c12)c(ccc2)S(=O)(=O)NCCNC(=O)CI | ||
Standard InChI: InChI=1S/C16H20IN3O3S/c1-20(2)14-7-3-6-13-12(14)5-4-8-15(13)24(22,23)19-10-9-18-16(21)11-17/h3-8,19H,9-11H2,1-2H3,(H,18,21) | ||
Molecular Formula: C16H20IN3O3S | Mol. Weight: 461.027 | logP: 1.7353 |
HBD: 2 | HBA: 4 | |
#Rotatable Bonds: 7 | TPSA: 78.51 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Uncharacterized protein | Q8VK10 (Q8VK10_MYCTO) | Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh) | 2YJ0 | 420 |
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