Reaction Details |
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Target | Falcipain 2 |
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Ligand | BDBM50513161 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1852104 (CHEMBL4352728) |
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IC50 | 59±n/a nM |
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Citation | Stoye, A; Juillard, A; Tang, AH; Legac, J; Gut, J; White, KL; Charman, SA; Rosenthal, PJ; Grau, GER; Hunt, NH; Payne, RJ Falcipain Inhibitors Based on the Natural Product Gallinamide A Are Potent in Vitro and in Vivo Antimalarials. J Med Chem62:5562-5578 (2019) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Falcipain 2 |
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Name: | Falcipain 2 |
Synonyms: | Cysteine protease falcipain-2 | Falcipain 2 | Falcipain-2 |
Type: | Enzyme |
Mol. Mass.: | 55912.60 |
Organism: | Plasmodium falciparum |
Description: | Recombinant falcipain-2. |
Residue: | 484 |
Sequence: | MDYNMDYAPHEVISQQGERFVDKYVDRKILKNKKSLLVIISLSVLSVVGFVLFYFTPNSR
KSDLFKNSSVENNNDDYIINSLLKSPNGKKFIVSKIDEALSFYDSKKNDINKYNEGNNNN
NADFKGLSLFKENTPSNNFIHNKDYFINFFDNKFLMNNAEHINQFYMFIKTNNKQYNSPN
EMKERFQVFLQNAHKVNMHNNNKNSLYKKELNRFADLTYHEFKNKYLSLRSSKPLKNSKY
LLDQMNYEEVIKKYRGEENFDHAAYDWRLHSGVTPVKDQKNCGSCWAFSSIGSVESQYAI
RKNKLITLSEQELVDCSFKNYGCNGGLINNAFEDMIELGGICPDGDYPYVSDAPNLCNID
RCTEKYGIKNYLSVPDNKLKEALRFLGPISISVAVSDDFAFYKEGIFDGECGDQLNHAVM
LVGFGMKEIVNPLTKKGEKHYYYIIKNSWGQQWGERGFINIETDESGLMRKCGLGTDAFI
PLIE
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BDBM50513161 |
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n/a |
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Name | BDBM50513161 |
Synonyms: | CHEMBL4472824 |
Type | Small organic molecule |
Emp. Form. | C43H61F3N6O8 |
Mol. Mass. | 846.975 |
SMILES | OC(=O)C(F)(F)F.COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](C(C)C)N(C)C |r,t:8| |
Structure |
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