| Reaction Details |
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 | Report a problem with these data |
| Target | Genome polyprotein |
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| Ligand | BDBM50136001 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_158779 (CHEMBL772935) |
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| Ki | 2000±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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| BDBM50136001 |
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| n/a |
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| Name | BDBM50136001 |
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| Synonyms: | 2-[(S)-(S)-2-((R)-2-{(S)-2-[(R)-2-((S)-2-Acetylamino-3-carboxy-propionylamino)-4-(S)-carboxy-butyrylamino]-4-methyl-pentanoylamino}-3-methyl-pentanoylamino)-3-cyclohexyl-propionylamino]-hexanoic acid | CHEMBL359083 |
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| Type | Small organic molecule |
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| Emp. Form. | C38H64N6O12 |
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| Mol. Mass. | 796.9478 |
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| SMILES | CCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[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@H](C)CC)C(O)=O |
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| Structure | 
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