Ligand |
||
Ligand Name: ME655 | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB908 | 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)CCCOc4ccc(cc4)-c5ccccc5 | ||
Standard InChI: InChI=1S/C24H27N3O5/c28-20-19(23-24(32-23)22(30)21(20)29)14-27-13-17(25-26-27)7-4-12-31-18-10-8-16(9-11-18)15-5-2-1-3-6-15/h1-3,5-6,8-11,13,19-24,28-30H,4,7,12,14H2/t19-,20-,21+,22-,23-,24+/m1/s1 | ||
Molecular Formula: C24H27N3O5 | Mol. Weight: 437.19507 | logP: 1.4366 |
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) | 6Q6N | HK2 |
- |
- |
SHOW |