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Target
Heparanase
Ligand
BDBM50431643
Substrate
n/a
Meas. Tech.
ChEMBL_950896 (CHEMBL2349720)
Kd
639000±n/a nM
Citation
 Gozalbes, R; Mosulén, S; Ortí, L; Rodríguez-Díaz, J; Carbajo, RJ; Melnyk, P; Pineda-Lucena, A Hit identification of novel heparanase inhibitors by structure- and ligand-based approaches. Bioorg Med Chem 21:1944-51 (2013) [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:
BDBM50431643
Synonyms:
CHEMBL319756
Type:
Small organic molecule
Emp. Form.:
C27H35ClN6O
Mol. Mass.:
495.059
SMILES:
CN(C)CCNCc1cc(NC(=O)CN2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc23)c1
Structure:
Search PDB for entries with ligand similarity: