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Target
Caspase-2
Ligand
BDBM513874
Substrate
n/a
Meas. Tech.
ChEMBL_2249160 (CHEMBL5163370)
IC50
>100000±n/a nM
Citation
 Unoh, Y; Uehara, S; Nakahara, K; Nobori, H; Yamatsu, Y; Yamamoto, S; Maruyama, Y; Taoda, Y; Kasamatsu, K; Suto, T; Kouki, K; Nakahashi, A; Kawashima, S; Sanaki, T; Toba, S; Uemura, K; Mizutare, T; Ando, S; Sasaki, M; Orba, Y; Sawa, H; Sato, A; Sato, T; Kato, T; Tachibana, Y Discovery of S-217622, a Noncovalent Oral SARS-CoV-2 3CL Protease Inhibitor Clinical Candidate for Treating COVID-19. J Med Chem 65:6499-6512 (2022) [PubMed] 
Target
Name:
Caspase-2
Synonyms:
Caspase-2 subunit p18 | Neural precursor cell expressed developmentally down-regulated protein 2 | ICH-1L/1S | ICH-1 protease | Caspase-2 subunit p12 | Caspase-2 subunit p13 | NEDD-2 | CASP-2 | CASP2_HUMAN | CASP2 | ICH1 | NEDD2
Type:
Enzyme
Mol. Mass.:
50688.29
Organism:
Human
Description:
P42575
Residue:
452
Sequence:
MAAPSAGSWSTFQHKELMAADRGRRILGVCGMHPHHQETLKKNRVVLAKQLLLSELLEHLLEKDIITLEMRELIQAKVGSFSQNVELLNLLPKRGPQAFDAFCEALRETKQGHLEDMLLTTLSGLQHVLPPLSCDYDLSLPFPVCESCPLYKKLRLSTDTVEHSLDNKDGPVCLQVKPCTPEFYQTHFQLAYRLQSRPRGLALVLSNVHFTGEKELEFRSGGDVDHSTLVTLFKLLGYDVHVLCDQTAQEMQEKLQNFAQLPAHRVTDSCIVALLSHGVEGAIYGVDGKLLQLQEVFQLFDNANCPSLQNKPKMFFIQACRGDETDRGVDQQDGKNHAGSPGCEESDAGKEKLPKMRLPTRSDMICGYACLKGTAAMRNTKRGSWYIEALAQVFSERACDMHVADMLVKVNALIKDREGYAPGTEFHRCKEMSEYCSTLCRHLYLFPGHPPT
  
Inhibitor
Name:
BDBM513874
Synonyms:
bioRxiv20220126.477782, Screening Hit 2 | bioRxiv20220126.477782, S-217622
Type:
Small organic molecule
Emp. Form.:
TBD
Mol. Mass.:
TBD
SMILES:
TBD
Structure:
Search PDB for entries with ligand similarity: