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Target
Cathepsin D
Ligand
BDBM50333944
Substrate
n/a
Meas. Tech.
ChEMBL_700285 (CHEMBL1647503)
Ki
13±n/a nM
Citation
 Sund, C; Belda, O; Wiktelius, D; Sahlberg, C; Vrang, L; Sedig, S; Hamelink, E; Henderson, I; Agback, T; Jansson, K; Borkakoti, N; Derbyshire, D; Eneroth, A; Samuelsson, B Design and synthesis of potent macrocyclic renin inhibitors. Bioorg Med Chem Lett 21:358-62 (2010) [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:
BDBM50333944
Synonyms:
(S)-N-((S)-Benzylcarbamoyl-isopropylsulfanyl-methyl)-2-{(S)-2-hydroxy-2-[(S)-18-(methanesulfonyl-methyl-amino)-4-methyl-2,15-dioxo-11-oxa-3,14-diaza-tricyclo[14.3.1.1*5,9*]henicosa-1(20),5,7,9(21),16,18-hexaen-13-yl]-ethyl}-3-methyl-butyramide | CHEMBL1644462
Type:
Small organic molecule
Emp. Form.:
C40H53N5O8S2
Mol. Mass.:
796.008
SMILES:
CC(C)S[C@H](NC(=O)[C@@H](C[C@H](O)[C@@H]1COCc2cccc(c2)C(C)NC(=O)c2cc(cc(c2)C(=O)N1)N(C)S(C)(=O)=O)C(C)C)C(=O)NCc1ccccc1 |r|
Structure:
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