Ligand |
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Ligand Name: N-((1R,2S)-2-allyl-4-oxocyclobutyl)-4-methylbenzenesulfonamide | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB41 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: Cc1ccc(cc1)S(=O)(=O)N[C@@H]2[C@H](CC2=O)CC=C | ||
Standard InChI: InChI=1S/C14H17NO3S/c1-3-4-11-9-13(16)14(11)15-19(17,18)12-7-5-10(2)6-8-12/h3,5-8,11,14-15H,1,4,9H2,2H3/t11-,14+/m0/s1 | ||
Molecular Formula: C14H17NO3S | Mol. Weight: 279.09293 | logP: 1.80702 |
HBD: 1 | HBA: 3 | |
#Rotatable Bonds: 5 | TPSA: 63.24 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Carboxylesterase/phospholipase family protein | Q5NI32 (Q5NI32_FRATT) | Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4) | 4F21 | 0S1 |
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