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Target
Heparanase
Ligand
BDBM50511580
Substrate
n/a
Meas. Tech.
ChEMBL_1845079 (CHEMBL4345506)
IC50
41680±n/a nM
Citation
 Zhu, S; Li, J; Loka, RS; Song, Z; Vlodavsky, I; Zhang, K; Nguyen, HM Modulating Heparanase Activity: Tuning Sulfation Pattern and Glycosidic Linkage of Oligosaccharides. J Med Chem 63:4227-4255 (2020) [PubMed]  Article 
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:
BDBM50511580
Synonyms:
CHEMBL4540273
Type:
Small organic molecule
Emp. Form.:
C54H67N5Na14O73S10
Mol. Mass.:
2596.606
SMILES:
[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[H][C@@]1([#8]-[#6@H]-2-[#6@H](-[#8])-[#6@@H](-[#7]S([#8-])(=O)=O)[C@@]([H])([#8]-[#6@H]-3-[#6@H](-[#8])-[#6@@H](-[#8]S([#8-])(=O)=O)-[#6@H](-[#8][C@@]4([H])[#6@H](-[#8])-[#6@@H](-[#7]S([#8-])(=O)=O)[C@@]([H])([#8]-[#6@H]-5-[#6@H](-[#8])-[#6@@H](-[#8]S([#8-])(=O)=O)-[#6@H](-[#8][C@@]6([H])[#6@H](-[#8])-[#6@@H](-[#7]S([#8-])(=O)=O)[C@@]([H])([#8]-[#6@H]-7-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@H](-[#8]-c8ccc(cc8)-[#7+](-[#8-])=O)-[#8]-[#6@@H]-7-[#6](-[#8-])=O)[#8]-[#6@@H]6-[#6]-[#8]S([#8-])(=O)=O)-[#8]-[#6@H]-5-[#6](-[#8-])=O)[#8]-[#6@@H]4-[#6]-[#8]S([#8-])(=O)=O)-[#8]-[#6@H]-3-[#6](-[#8-])=O)[#8]-[#6@@H]-2-[#6]-[#8]S([#8-])(=O)=O)[#8]-[#6@@H](-[#6@@H](-[#8][C@@]2([H])[#8]-[#6@H](-[#6]-[#8]S([#8-])(=O)=O)-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]2-[#7]S([#8-])(=O)=O)-[#6@H](-[#8])-[#6@H]1-[#8])-[#6](-[#8-])=O |r|
Structure:
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