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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Reverse transcriptase/RNaseH | ||
| Ligand | BDBM50369418 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_197263 (CHEMBL804179) | ||
| EC50 | 5.1±n/a nM | ||
| Citation |  Eriksson, MA; Pitera, J; Kollman, PA Prediction of the binding free energies of new TIBO-like HIV-1 reverse transcriptase inhibitors using a combination of PROFEC, PB/SA, CMC/MD, and free energy calculations. J Med Chem42:868-81 (1999) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Reverse transcriptase/RNaseH | |||
| 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: |
| ||
| BDBM50369418 | |||
| n/a | |||
| Name | BDBM50369418 | ||
| Synonyms: | CHEMBL58711 | R-87027 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C16H20ClN3S | ||
| Mol. Mass. | 321.868 | ||
| SMILES | C[C@H]1Cn2c3c(CN1CC=C(C)C)c(Cl)ccc3[nH]c2=S |r,wD:1.0,(3.24,.55,;1.7,.51,;1,1.88,;-.51,2.18,;-1.69,1.19,;-1.65,-.35,;-.42,-1.28,;1.07,-.89,;2.07,-2.07,;3.58,-1.8,;4.58,-2.98,;6.09,-2.71,;4.05,-4.42,;-3.1,-1.07,;-3.17,-2.61,;-4.4,-.26,;-4.35,1.28,;-3,2,;-2.63,3.5,;-1.09,3.61,;-.28,4.92,)| | ||
| Structure | 
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