Reaction Details Report a problem with these data
Target
Heparanase
Ligand
BDBM50612820
Substrate
n/a
Meas. Tech.
ChEMBL_2289897
IC50
20±n/a nM
Citation
 Ye, W; Fan, C; Fu, K; Wang, X; Lin, J; Nian, S; Liu, C; Zhou, W The SAR and action mechanisms of autophagy inhibitors that eliminate drug resistance. Eur J Med Chem 244:0 (2022) [PubMed] 
Target
Name:
Heparanase
Synonyms:
Endo-glucoronidase | HEP | HPA | HPA1 | HPR1 | HPSE | HPSE1 | HPSE_HUMAN | HSE1 | Heparanase 50 kDa subunit | Heparanase 8 kDa subunit | Heparanase-1
Type:
PROTEIN
Mol. Mass.:
61167.67
Organism:
Homo sapiens (Human)
Description:
ChEMBL_327900
Residue:
543
Sequence:
MLLRSKPALPPPLMLLLLGPLGPLSPGALPRPAQAQDVVDLDFFTQEPLHLVSPSFLSVTIDANLATDPRFLILLGSPKLRTLARGLSPAYLRFGGTKTDFLIFDPKKESTFEERSYWQSQVNQDICKYGSIPPDVEEKLRLEWPYQEQLLLREHYQKKFKNSTYSRSSVDVLYTFANCSGLDLIFGLNALLRTADLQWNSSNAQLLLDYCSSKGYNISWELGNEPNSFLKKADIFINGSQLGEDFIQLHKLLRKSTFKNAKLYGPDVGQPRRKTAKMLKSFLKAGGEVIDSVTWHHYYLNGRTATKEDFLNPDVLDIFISSVQKVFQVVESTRPGKKVWLGETSSAYGGGAPLLSDTFAAGFMWLDKLGLSARMGIEVVMRQVFFGAGNYHLVDENFDPLPDYWLSLLFKKLVGTKVLMASVQGSKRRKLRVYLHCTNTDNPRYKEGDLTLYAINLHNVTKYLRLPYPFSNKQVDKYLLRPLGPHGLLSKSVQLNGLTLKMVDDQTLPPLMEKPLRPGSSLGLPAFSYSFFVIRNAKVAACI
  
Inhibitor
Name:
BDBM50612820
Synonyms:
CHEMBL5267246
Type:
Small organic molecule
Emp. Form.:
C45H68Na10O46S10
Mol. Mass.:
1895.542
SMILES:
[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[H][C@@]1([#6]-[#6][C@@]2([H])[C@]3([H])[#6]-[#6][C@@]4([H])[#6][C@]([H])([#6]-[#6][C@]4([#6])[C@@]3([H])[#6]-[#6][C@]12[#6])[#8]-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8]S([#8-])(=O)=O)-[#6@@H](-[#8][C@]2([H])[#8]-[#6@H](-[#6]-[#8]S([#8-])(=O)=O)-[#6@@H](-[#8][C@]3([H])[#8]-[#6@H](-[#6]-[#8]S([#8-])(=O)=O)-[#6@@H](-[#8]S([#8-])(=O)=O)-[#6@H](-[#8]S([#8-])(=O)=O)-[#6@H]3-[#8]S([#8-])(=O)=O)-[#6@H](-[#8]S([#8-])(=O)=O)-[#6@H]2-[#8]S([#8-])(=O)=O)-[#6@H](-[#8]S([#8-])(=O)=O)-[#6@H]-1-[#8]S([#8-])(=O)=O)[#6@H](-[#6])-[#6]-[#6]-[#6]-[#6](-[#6])-[#6] |r|
Structure:
Search PDB for entries with ligand similarity: