Reaction Details |
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Target | Genome polyprotein |
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Ligand | BDBM11243 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_161099 (CHEMBL771560) |
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EC50 | 5±n/a nM |
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Citation | Dragovich, PS; Prins, TJ; Zhou, R; Webber, SE; Marakovits, JT; Fuhrman, SA; Patick, AK; Matthews, DA; Lee, CA; Ford, CE; Burke, BJ; Rejto, PA; Hendrickson, TF; Tuntland, T; Brown, EL; Meador, JW; Ferre, RA; Harr, JE; Kosa, MB; Worland, ST Structure-based design, synthesis, and biological evaluation of irreversible human rhinovirus 3C protease inhibitors. 4. Incorporation of P1 lactam moieties as L-glutamine replacements. J Med Chem42:1213-24 (1999) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Genome polyprotein |
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Name: | Genome polyprotein |
Synonyms: | Human rhinovirus A protease | Human rhinovirus B 3A protease |
Type: | PROTEIN |
Mol. Mass.: | 44361.04 |
Organism: | Human rhinovirus B |
Description: | ChEMBL_158953 |
Residue: | 401 |
Sequence: | AFRPCNVNTKIGNAKCCPFVCGKAVTFKDRSTCSTYNLSSSLHHILEEDKRRRQVVDVMS
AIFQGPISLDAPPPPAIADLLQSVRTPRVIKYCQIIMGHPAECQVERDLNIANSIIAIIA
NIISIAGIIFVIYKLFCSLQGPYSGEPKPKTKVPERRVVAQGPEEEFGRSILKNNTCVIT
TGNGKFTGLGIHDRILIIPTHADPGREVQVNGVHTKVLDSYDLYNRDGVKLEITVIQLDR
NEKFRDIRKYIPETEDDYPECNLALSANQDEPTIIKVGDVVSYGNILLSGNQTARMLKYN
YPTKSGYCGGVLYKIGQILGIHVGGNGRDGFSAMLLRSYFTGQIKVNKHATECGLPDIQT
IHTPSKTKLQPSVFYDVFPGSKEPAVLTDNDPRLEVNFKEA
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BDBM11243 |
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n/a |
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Name | BDBM11243 |
Synonyms: | AG7088 | CHEMBL20210 | US11859014, Compound rupintrivir | cmdc.202100576, 24f | ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-methyl-5-{[(5-methylisoxazol-3-yl)carbonyl]amino}-4-oxoheptanoyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | ethyl (2E,4S)-4-[(2R,5S)-2-[(4-fluorophenyl)methyl]-6-methyl-5-[(5-methyl-1,2-oxazol-3-yl)formamido]-4-oxoheptanamido]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | med.21724, Compound 29 |
Type | Small organic molecule |
Emp. Form. | C31H39FN4O7 |
Mol. Mass. | 598.6624 |
SMILES | CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C)Cc1ccc(F)cc1 |r| |
Structure |
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