Reaction Details |
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Target | Reverse transcriptase/RNaseH |
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Ligand | BDBM2953 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_305433 (CHEMBL830926) |
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IC50 | >2000±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 |
Synonyms: | HIV-1 Reverse Transcriptase RNase H | Human immunodeficiency virus type 1 reverse transcriptase | Reverse transcriptase/RNaseH |
Type: | PROTEIN |
Mol. Mass.: | 65229.15 |
Organism: | Human immunodeficiency virus 1 |
Description: | ChEMBL_1473730 |
Residue: | 566 |
Sequence: | PISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPV
FAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKRKSVTVLDVGDAYFSVPL
DEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPDIVI
YQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWT
VQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIRVRQLCKLLRGTKALTEVIPLTEEAE
LELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLRTGKYARMRGA
HTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTP
PLVKLWYQLEKEPIVGAETFYVDGAANRETKLGKAGYVTNRGRQKVVTLTDTTNQKTELQ
AIYLALQDSGLEVNIVTDSQYALGIIQAQPDQSESELVNQIIEQLIKKEKVYLAWVPAHK
GIGGNEQVDKLVSAGIRKVLFLDGID
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BDBM2953 |
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n/a |
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Name | BDBM2953 |
Synonyms: | Benzoxazinone deriv. 8a | CHEMBL111492 | N-[4-(2-cyclopropylethynyl)-2-oxo-4-(trifluoromethyl)-2,4-dihydro-1H-3,1-benzoxazin-6-yl]acetamide |
Type | Small organic molecule |
Emp. Form. | C16H13F3N2O3 |
Mol. Mass. | 338.2812 |
SMILES | CC(=O)Nc1ccc2NC(=O)OC(C#CC3CC3)(c2c1)C(F)(F)F |
Structure |
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