| Reaction Details |
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 | Report a problem with these data |
| Target | HIV-1 protease |
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| Ligand | BDBM31817 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_824208 (CHEMBL2044143) |
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| Ki | 0.650000±n/a nM |
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| Citation |  Chang, YC; Yu, X; Zhang, Y; Tie, Y; Wang, YF; Yashchuk, S; Ghosh, AK; Harrison, RW; Weber, IT Potent antiviral HIV-1 protease inhibitor GRL-02031 adapts to the structures of drug resistant mutants with its P1'-pyrrolidinone ring. J Med Chem55:3387-97 (2012) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| HIV-1 protease |
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| Name: | HIV-1 protease |
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| Synonyms: | HIV-1 | HIV-1 protease | protease |
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| Type: | PROTEIN |
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| Mol. Mass.: | 10795.19 |
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| Organism: | Human immunodeficiency virus |
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| Description: | ChEMBL_118439 |
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| Residue: | 99 |
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| Sequence: | PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYD
QILIEICGHKAIGTVLIGPTPVNIIGRNLLTQIGCTLNF
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|
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| BDBM31817 |
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| n/a |
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| Name | BDBM31817 |
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| Synonyms: | GRL-02031 | methyl-2-pyrrolidinone, 19b |
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| Type | Small organic molecule |
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| Emp. Form. | C30H39N3O8S |
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| Mol. Mass. | 601.711 |
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| SMILES | [H][C@]1(C[C@]2([H])CCO[C@]2([H])C1)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(C[C@H]1CCC(=O)N1)S(=O)(=O)c1ccc(OC)cc1 |r| |
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| Structure | 
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