Ligand
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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