| Reaction Details |
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 | Report a problem with these data |
| Target | Reverse transcriptase/RNaseH |
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| Ligand | BDBM2944 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_305433 (CHEMBL830926) |
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| IC50 | 276±n/a nM |
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| Citation |  Balaji, S; Karthikeyan, C; Moorthy, NS; Trivedi, P QSAR modelling of HIV-1 reverse transcriptase inhibition by benzoxazinones using a combination of P_VSA and pharmacophore feature descriptors. Bioorg Med Chem Lett14:6089-94 (2004) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Reverse transcriptase/RNaseH |
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| Name: | Reverse transcriptase/RNaseH |
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| Synonyms: | HIV-1 Reverse Transcriptase RNase H | Human immunodeficiency virus type 1 reverse transcriptase | Reverse transcriptase/RNaseH |
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| Type: | PROTEIN |
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| Mol. Mass.: | 65229.15 |
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| Organism: | Human immunodeficiency virus 1 |
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| Description: | ChEMBL_1473730 |
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| Residue: | 566 |
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| Sequence: | PISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPV
FAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKRKSVTVLDVGDAYFSVPL
DEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPDIVI
YQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWT
VQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIRVRQLCKLLRGTKALTEVIPLTEEAE
LELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLRTGKYARMRGA
HTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTP
PLVKLWYQLEKEPIVGAETFYVDGAANRETKLGKAGYVTNRGRQKVVTLTDTTNQKTELQ
AIYLALQDSGLEVNIVTDSQYALGIIQAQPDQSESELVNQIIEQLIKKEKVYLAWVPAHK
GIGGNEQVDKLVSAGIRKVLFLDGID
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| BDBM2944 |
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| n/a |
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| Name | BDBM2944 |
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| Synonyms: | 4-(but-1-yn-1-yl)-6-nitro-4-(trifluoromethyl)-2,4-dihydro-1H-3,1-benzoxazin-2-one | Benzoxazinone deriv. 5f | CHEMBL109184 |
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| Type | Small organic molecule |
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| Emp. Form. | C13H9F3N2O4 |
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| Mol. Mass. | 314.2168 |
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| SMILES | CCC#CC1(OC(=O)Nc2ccc(cc12)[N+]([O-])=O)C(F)(F)F |
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| Structure | 
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