Ligand |
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| Ligand Name: 2,5-diethyl-1-methyl-4-sulfamoyl-pyrrole-3-carboxylic acid | ||
| HET ID: E1C | PubChem: 145925541 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: CCc1n(C)c(c(c1C(=O)O)S(=O)(=O)N)CC | ||
| Standard InChI: InChI=1S/C10H16N2O4S/c1-4-6-8(10(13)14)9(17(11,15)16)7(5-2)12(6)3/h4-5H2,1-3H3,(H,13,14)(H2,11,15,16) | ||
| Molecular Formula: C10H16N2O4S | Mol. Weight: 260.31003 | Heavy Atoms: 17 |
| Charge: 0 | Is Chiral: False | logP: 2.2766 |
| HBD: 2 | HBA: 6 | TPSA: 110.77 |
| #Bonds: 17 | #Rotatable Bonds: 4 | Shape Complexity: 0.5 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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