| Reaction Details |
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 | Report a problem with these data |
| Target | Reverse transcriptase/RNaseH |
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| Ligand | BDBM2053 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | HIV-1 RT Assay |
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| IC50 | 270±n/a nM |
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| Citation |  Cywin, CL; Klunder, JM; Hoermann, M; Brickwood, JR; David, E; Grob, PM; Schwartz, R; Pauletti, D; Barringer, KJ; Shih, CK; Sorge, CL; Erickson, DA; Joseph, DP; Hattox, SE Novel Nonnucleoside Inhibitors of HIV-1 Reverse Transcriptase. 8. 8-Aryloxymethyl- and 8-Arylthiomethyldipyridodiazepinones J Med Chem41:2972-84 (1998) [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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| BDBM2053 |
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| n/a |
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| Name | BDBM2053 |
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| Synonyms: | 2,8-disubstituted dipyridodiazepinone 36 | 2-Chloro-5,11-dihydro-11-ethyl-5-methyl-8-((2-trifluoromethyl-1-oxo-pyridin-4-yl)oxy)methyl-6H-dipyrido[3,2-b:2 ,3 -e][1,4]diazepin-6-one | 4-({5-chloro-2-ethyl-9-methyl-10-oxo-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-13-yl}methoxy)-1-oxido-2-(trifluoromethyl)pyridin-1-ium |
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| Type | Small organic molecule |
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| Emp. Form. | C21H17ClF3N5O3 |
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| Mol. Mass. | 479.84 |
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| SMILES | CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cc[n+]([O-])c(c3)C(F)(F)F)cnc12 |
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| Structure | 
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