| Reaction Details |
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 | Report a problem with these data |
| Target | Reverse transcriptase/RNaseH |
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| Ligand | BDBM50193522 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_385312 (CHEMBL869229) |
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| IC50 | 49200±n/a nM |
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| Citation |  Deng, BL; Hartman, TL; Buckheit, RW; Pannecouque, C; De Clercq, E; Cushman, M Replacement of the metabolically labile methyl esters in the alkenyldiarylmethane series of non-nucleoside reverse transcriptase inhibitors with isoxazolone, isoxazole, oxazolone, or cyano substituents. J Med Chem49:5316-23 (2006) [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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| BDBM50193522 |
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| n/a |
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| Name | BDBM50193522 |
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| Synonyms: | CHEMBL214489 | methyl 6-(3,7-dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-6-(2,7-dimethyl-3-oxo-2,3-dihydrobenzo[d]isoxazol-5-yl)hex-5-enoate |
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| Type | Small organic molecule |
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| Emp. Form. | C25H26N2O6 |
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| Mol. Mass. | 450.4837 |
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| SMILES | COC(=O)CCC\C=C(/c1cc(C)c2oc(=O)n(C)c2c1)c1cc(C)c2on(C)c(=O)c2c1 |
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| Structure | 
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