| Reaction Details |
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 | Report a problem with these data |
| Target | Protease |
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| Ligand | BDBM13934 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1754837 (CHEMBL4189597) |
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| EC50 | 0.700000±n/a nM |
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| Citation |  Subbaiah, MAM; Meanwell, NA; Kadow, JF; Subramani, L; Annadurai, M; Ramar, T; Desai, SD; Sinha, S; Subramanian, M; Mandlekar, S; Sridhar, S; Padmanabhan, S; Bhutani, P; Arla, R; Jenkins, SM; Krystal, MR; Wang, C; Sarabu, R Coupling of an Acyl Migration Prodrug Strategy with Bio-activation To Improve Oral Delivery of the HIV-1 Protease Inhibitor Atazanavir. J Med Chem61:4176-4188 (2018) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Protease |
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| Name: | Protease |
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| Synonyms: | n/a |
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| Type: | Enzyme |
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| Mol. Mass.: | 10904.79 |
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| Organism: | Human immunodeficiency virus 1 (HIV-1) |
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| Description: | Q9YQ12 |
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| Residue: | 99 |
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| Sequence: | PQITLWQRPFVTIKIEGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYD
QIVIEICGKKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
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| BDBM13934 |
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| n/a |
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| Name | BDBM13934 |
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| Synonyms: | Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 | Latazanavir | US10806794, Compound Atazanavir | US11938127, Compound atazanavir | methyl N-[(1S)-1-[[(2S,3S)-3-hydroxy-4-[[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-[(4-pyridin-2-ylphenyl)methyl]amino]-1-phenyl-butan-2-yl]carbamoyl]-2,2-dimethyl-propyl]carbamate | methyl N-[(1S)-1-{[(2S,3S)-3-hydroxy-4-[(2S)-2-[(methoxycarbonyl)amino]-3,3-dimethyl-N'-{[4-(pyridin-2-yl)phenyl]methyl}butanehydrazido]-1-phenylbutan-2-yl]carbamoyl}-2,2-dimethylpropyl]carbamate |
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| Type | Small organic molecule |
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| Emp. Form. | C38H52N6O7 |
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| Mol. Mass. | 704.8555 |
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| SMILES | COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C |r| |
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| Structure | 
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