Reaction Details |
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Target | Reverse transcriptase/RNaseH |
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Ligand | BDBM2325 |
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Substrate/Competitor | n/a |
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Meas. Tech. | HIV-1 RT Assay |
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IC50 | 5±n/a nM |
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Citation | Ragno, R; Mai, A; Sbardella, G; Artico, M; Massa, S; Musiu, C; Mura, M; Marturana, F; Cadeddu, A; La Colla, P Computer-aided design, synthesis, and anti-HIV-1 activity in vitro of 2-alkylamino-6-[1-(2,6-difluorophenyl)alkyl]-3,4-dihydro-5-alkylpyrimidin-4(3H)-ones as novel potent non-nucleoside reverse transcriptase inhibitors, also active against the Y181C variant. J Med Chem47:928-34 (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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BDBM2325 |
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n/a |
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Name | BDBM2325 |
Synonyms: | 2-(cyclopentylsulfanyl)-6-[1-(2,6-difluorophenyl)ethyl]-5-methyl-3,4-dihydropyrimidin-4-one | S-DABO | thio-DABO 3w |
Type | Small organic molecule |
Emp. Form. | C18H20F2N2OS |
Mol. Mass. | 350.426 |
SMILES | CC(c1nc(SC2CCCC2)[nH]c(=O)c1C)c1c(F)cccc1F |
Structure |
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