Reaction Details Report a problem with these data
Target
Cathepsin E
Ligand
BDBM50603525
Substrate
n/a
Meas. Tech.
ChEMBL_2244257 (CHEMBL5158467)
IC50
100±n/a nM
Citation
More Info.:
Target
Name:
Cathepsin E
Synonyms:
3.4.23.34 | CATE_HUMAN | CTSE | Cathepsin E form I | Cathepsin E form II
Type:
Enzyme
Mol. Mass.:
43298.99
Organism:
Homo sapiens (Human)
Description:
P14091
Residue:
396
Sequence:
MKTLLLLLLVLLELGEAQGSLHRVPLRRHPSLKKKLRARSQLSEFWKSHNLDMIQFTESCSMDQSAKEPLINYLDMEYFGTISIGSPPQNFTVIFDTGSSNLWVPSVYCTSPACKTHSRFQPSQSSTYSQPGQSFSIQYGTGSLSGIIGADQVSVEGLTVVGQQFGESVTEPGQTFVDAEFDGILGLGYPSLAVGGVTPVFDNMMAQNLVDLPMFSVYMSSNPEGGAGSELIFGGYDHSHFSGSLNWVPVTKQAYWQIALDNIQVGGTVMFCSEGCQAIVDTGTSLITGPSDKIKQLQNAIGAAPVDGEYAVECANLNVMPDVTFTINGVPYTLSPTAYTLLDFVDGMQFCSSGFQGLDIHPPAGPLWILGDVFIRQFYSVFDRGNNRVGLAPAVP
Inhibitor
Name:
BDBM50603525
Synonyms:
CHEMBL5184180
Type:
Small organic molecule
Emp. Form.:
C151H215N33O34
Mol. Mass.:
3036.5235
SMILES:
CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCCOCCOCCn1cc(CNC(=O)[C@H](CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CCN2c3ccccc3C(C)(C)[C@@]22Oc3ccc(cc3C=C2)[N+]([O-])=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)C(CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CCN2c3ccccc3C(C)(C)[C@]22CCc3cc(ccc3O2)[N+]([O-])=O)nn1 |r,c:157|