Ligand |
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Ligand Name: ME656 | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB1282 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: [C@H]12[C@@H](O2)[C@H](O)[C@@H](O)[C@H](O)[C@H]1Cn3cc(nn3)CCCOCC45C[C@H]6C[C@@H](C4)C[C@H](C6)C5 | ||
Standard InChI: InChI=1S/C23H35N3O5/c27-18-17(21-22(31-21)20(29)19(18)28)11-26-10-16(24-25-26)2-1-3-30-12-23-7-13-4-14(8-23)6-15(5-13)9-23/h10,13-15,17-22,27-29H,1-9,11-12H2/t13-,14+,15-,17-,18-,19+,20-,21-,22+,23?/m1/s1 | ||
Molecular Formula: C23H35N3O5 | Mol. Weight: 433.25766 | logP: 0.9236 |
HBD: 3 | HBA: 8 | |
#Rotatable Bonds: 8 | TPSA: 113.16 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Lysosomal acid glucosylceramidase | P04062 (GLCM_HUMAN) | Homo sapiens (Human) | 6Q6L | RJR |
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SHOW |