Reaction Details |
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Target | Reverse transcriptase/RNaseH |
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Ligand | BDBM2950 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_305433 (CHEMBL830926) |
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IC50 | 896±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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BDBM2950 |
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n/a |
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Name | BDBM2950 |
Synonyms: | 6-amino-4-(3-methylbut-1-yn-1-yl)-4-(trifluoromethyl)-2,4-dihydro-1H-3,1-benzoxazin-2-one | Benzoxazinone deriv. 6d | CHEMBL111001 |
Type | Small organic molecule |
Emp. Form. | C14H13F3N2O2 |
Mol. Mass. | 298.2604 |
SMILES | CC(C)C#CC1(OC(=O)Nc2ccc(N)cc12)C(F)(F)F |
Structure |
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