| Reaction Details |
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 | Report a problem with these data |
| Target | Gag-Pol polyprotein [489-587] |
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| Ligand | BDBM50593250 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2207810 (CHEMBL5120518) |
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| IC50 | 0.370000±n/a nM |
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| Citation |  Kusumoto, Y; Hayashi, K; Sato, S; Yamada, T; Kozono, I; Nakata, Z; Asada, N; Mitsuki, S; Watanabe, A; Wakasa-Morimoto, C; Uemura, K; Arita, S; Miki, S; Mizutare, T; Mikamiyama, H Highly Potent and Oral Macrocyclic Peptides as a HIV-1 Protease Inhibitor: mRNA Display-Derived Hit-to-Lead Optimization. ACS Med Chem Lett13:1634-1641 (2022) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Gag-Pol polyprotein [489-587] |
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| Name: | Gag-Pol polyprotein [489-587] |
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| Synonyms: | Human immunodeficiency virus type 1 protease | POL_HV1H2 | Pol polyprotein | gag-pol |
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| Type: | Enzyme Subunit |
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| Mol. Mass.: | 10781.16 |
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| Organism: | Human immunodeficiency virus type 1 |
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| Description: | P04585[489-587] |
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| Residue: | 99 |
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| Sequence: | PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYD
QILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
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| BDBM50593250 |
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| n/a |
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| Name | BDBM50593250 |
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| Synonyms: | CHEMBL5180391 |
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| Type | Small organic molecule |
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| Emp. Form. | C63H96N10O10S |
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| Mol. Mass. | 1185.562 |
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| SMILES | CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@]2(C)CCCN2C(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CSCCNC(=O)CNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC2CCCCC2)NC1=O)C(C)C)C(C)C |r| |
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| Structure | 
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