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Target
Endothiapepsin
Ligand
BDBM50546276
Substrate
n/a
Meas. Tech.
ChEMBL_2015065 (CHEMBL4668643)
IC50
54±n/a nM
Citation
 Bancet, A; Raingeval, C; Lomberget, T; Le Borgne, M; Guichou, JF; Krimm, I Fragment Linking Strategies for Structure-Based Drug Design. J Med Chem 63:11420-11435 (2020) [PubMed]  Article
Target
Name:
Endothiapepsin
Synonyms:
Aspartate protease | CARP_CRYPA | EAPA | EPN-1
Type:
PROTEIN
Mol. Mass.:
43247.42
Organism:
Cryphonectria parasitica
Description:
ChEMBL_451972
Residue:
419
Sequence:
MSSPLKNALVTAMLAGGALSSPTKQHVGIPVNASPEVGPGKYSFKQVRNPNYKFNGPLSVKKTYLKYGVPIPAWLEDAVQNSTSGLAERSTGSATTTPIDSLDDAYITPVQIGTPAQTLNLDFDTGSSDLWVFSSETTASEVDGQTIYTPSKSTTAKLLSGATWSISYGDGSSSSGDVYTDTVSVGGLTVTGQAVESAKKVSSSFTEDSTIDGLLGLAFSTLNTVSPTQQKTFFDNAKASLDSPVFTADLGYHAPGTYNFGFIDTTAYTGSITYTAVSTKQGFWEWTSTGYAVGSGTFKSTSIDGIADTGTTLLYLPATVVSAYWAQVSGAKSSSSVGGYVFPCSATLPSFTFGVGSARIVIPGDYIDFGPISTGSSSCFGGIQSSAGIGINIFGDVALKAAFVVFNGATTPTLGFASK
  
Inhibitor
Name:
BDBM50546276
Synonyms:
CHEMBL4743297
Type:
Small organic molecule
Emp. Form.:
C30H30N8O2
Mol. Mass.:
534.6116
SMILES:
NC(Cc1c[nH]c2ccccc12)C(=O)N\N=C\c1cccc(\C=N\NC(=O)C(N)Cc2c[nH]c3ccccc23)c1
Structure:
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