Ligand |
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| Ligand Name: 5-chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide | ||
| HET ID: RIV | PubChem: 9875401 | |
| DrugBank: DB06228 | ChEMBL: CHEMBL198362 | |
| Canonical SMILES: O=C1O[C@H](CN1c1ccc(cc1)N1CCOCC1=O)CNC(=O)c1ccc(s1)Cl | ||
| Standard InChI: InChI=1S/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)/t14-/m0/s1 | ||
| Molecular Formula: C19H18ClN3O5S | Mol. Weight: 435.88132 | Heavy Atoms: 29 |
| Charge: 0 | Is Chiral: True | logP: 3.0408 |
| HBD: 1 | HBA: 9 | TPSA: 116.42 |
| #Bonds: 33 | #Rotatable Bonds: 6 | Shape Complexity: 0.31578946 |
| Stereocomplexity: 0.05263158 | Ligand Type: Small Molecule | |
Binding Affinity |
|
| Database Name | Value |
| PDBBind | Ki : 0.4000000059604645 nM |
| BindingDB | Ki : 0.6600000262260437 nM, Ki : 0.4000000059604645 nM, Ki : 1.600000023841858 nM, Ki : 8.5 nM, Ki : 0.699999988079071 nM, Ki : 2.200000047683716 nM, Ki : 4.590000152587891 nM, Ki : 400 nM, Ki : 1.399999976158142 nM, Ki : 14 nM, Ki : 700 nM |
| Binding MOAD | Ki : 0.4000000059604645 nM |