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Target
Cathepsin D
Ligand
BDBM50555171
Substrate
n/a
Meas. Tech.
ChEMBL_2051503 (CHEMBL4706202)
IC50
11±n/a nM
Citation
 Goyal, S; Patel, KV; Nagare, Y; Raykar, DB; Raikar, SS; Dolas, A; Khurana, P; Cyriac, R; Sarak, S; Gangar, M; Agarwal, AK; Kulkarni, A Identification and structure-activity relationship studies of small molecule inhibitors of the human cathepsin D. Bioorg Med Chem 29:0 (2021) [PubMed]  Article 
Target
Name:
Cathepsin D
Synonyms:
CATD_HUMAN | CPSD | CTSD | Cathepsin D [Precursor] | Cathepsin D heavy chain | Cathepsin D light chain | Cathepsin D precursor
Type:
Enzyme
Mol. Mass.:
44551.72
Organism:
Homo sapiens (Human)
Description:
Human proCathepsin D (SwissProt accession number P07339) was expressed in Sf9 cells, purified, and autoactivated.
Residue:
412
Sequence:
MQPSSLLPLALCLLAAPASALVRIPLHKFTSIRRTMSEVGGSVEDLIAKGPVSKYSQAVPAVTEGPIPEVLKNYMDAQYYGEIGIGTPPQCFTVVFDTGSSNLWVPSIHCKLLDIACWIHHKYNSDKSSTYVKNGTSFDIHYGSGSLSGYLSQDTVSVPCQSASSASALGGVKVERQVFGEATKQPGITFIAAKFDGILGMAYPRISVNNVLPVFDNLMQQKLVDQNIFSFYLSRDPDAQPGGELMLGGTDSKYYKGSLSYLNVTRKAYWQVHLDQVEVASGLTLCKEGCEAIVDTGTSLMVGPVDEVRELQKAIGAVPLIQGEYMIPCEKVSTLPAITLKLGGKGYKLSPEDYTLKVSQAGKTLCLSGFMGMDIPPPSGPLWILGDVFIGRYYTVFDRDNNRVGFAEAARL
  
Inhibitor
Name:
BDBM50555171
Synonyms:
CHEMBL4741771
Type:
Small organic molecule
Emp. Form.:
C35H50F3N5O8S
Mol. Mass.:
757.86
SMILES:
OC(=O)C(F)(F)F.COc1ccc(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)Nc2cc(ccc2C)S(=O)(=O)N(C(C)C)C(C)C)cc1OC |r|
Structure:
Search PDB for entries with ligand similarity: