Ligand
Ligand Name:   JJB355
Ligand Type:   non-polymer
Ligand ID:   COVPDB325 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   O[C@H]1[C@@H]2[C@@H]([C@@H]([C@@H](O)[C@@H]1O)C(O)=O)[N@]2CCCCCCCCN=[N+]=[N-]
Standard InChI:   InChI=1S/C15H26N4O5/c16-18-17-7-5-3-1-2-4-6-8-19-10-9(15(23)24)12(20)14(22)13(21)11(10)19/h9-14,20-22H,1-8H2,(H,23,24)/t9-,10+,11-,12+,13-,14-,19?/m0/s1
Molecular Formula:   C15H26N4O5 Mol. Weight:   342.1903 logP:   0.4872
HBD:   4 HBA:   6
#Rotatable Bonds:   10 TPSA:   149.76

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Heparanase Q9Y251 (HPSE_HUMAN) Homo sapiens (Human) 5LA7 6S6
-
-
SHOW
Heparanase Q9Y251 (HPSE_HUMAN) Homo sapiens (Human) 5L9Y 6S6
-
-
SHOW