| Reaction Details |
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 | Report a problem with these data |
| Target | Genome polyprotein |
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| Ligand | BDBM50136003 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_158779 (CHEMBL772935) |
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| Ki | 120±n/a nM |
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| Citation |  Guo, Z; Durkin, J; Fischmann, T; Ingram, R; Prongay, A; Zhang, R; Madison, V Application of the lambda-dynamics method to evaluate the relative binding free energies of inhibitors to HCV protease. J Med Chem46:5360-4 (2003) [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 |
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| Synonyms: | Human rhinovirus A protease | Human rhinovirus B 3A protease |
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| Type: | PROTEIN |
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| Mol. Mass.: | 44361.04 |
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| Organism: | Human rhinovirus B |
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| Description: | ChEMBL_158953 |
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| Residue: | 401 |
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| Sequence: | AFRPCNVNTKIGNAKCCPFVCGKAVTFKDRSTCSTYNLSSSLHHILEEDKRRRQVVDVMS
AIFQGPISLDAPPPPAIADLLQSVRTPRVIKYCQIIMGHPAECQVERDLNIANSIIAIIA
NIISIAGIIFVIYKLFCSLQGPYSGEPKPKTKVPERRVVAQGPEEEFGRSILKNNTCVIT
TGNGKFTGLGIHDRILIIPTHADPGREVQVNGVHTKVLDSYDLYNRDGVKLEITVIQLDR
NEKFRDIRKYIPETEDDYPECNLALSANQDEPTIIKVGDVVSYGNILLSGNQTARMLKYN
YPTKSGYCGGVLYKIGQILGIHVGGNGRDGFSAMLLRSYFTGQIKVNKHATECGLPDIQT
IHTPSKTKLQPSVFYDVFPGSKEPAVLTDNDPRLEVNFKEA
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| BDBM50136003 |
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| n/a |
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| Name | BDBM50136003 |
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| Synonyms: | (S)-4-((S)-2-Acetylamino-3-carboxy-propionylamino)-4-((R)-(S)-1-{1-[(R)-(R)-1-((S)-1-carboxy-2-mercapto-ethylcarbamoyl)-2-cyclohexyl-ethylcarbamoyl]-2-methyl-butylcarbamoyl}-3-methyl-butylcarbamoyl)-butyric acid | CHEMBL150021 |
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| Type | Small organic molecule |
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| Emp. Form. | C35H58N6O12S |
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| Mol. Mass. | 786.933 |
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| SMILES | CC[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(O)=O |
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| Structure | 
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