| Reaction Details |
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 | Report a problem with these data |
| Target | HIV-1 protease |
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| Ligand | BDBM13934 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_491046 (CHEMBL982906) |
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| Ki | 0.230000±n/a nM |
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| Citation |  Kozísek, M; Cígler, P; Lepsík, M; Fanfrlík, J; Rezácová, P; Brynda, J; Pokorná, J; Plesek, J; Grüner, B; Grantz Sasková, K; Václavíková, J; Král, V; Konvalinka, J Inorganic polyhedral metallacarborane inhibitors of HIV protease: a new approach to overcoming antiviral resistance. J Med Chem51:4839-43 (2008) [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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| 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 | 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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