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
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