| Reaction Details |
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 | Report a problem with these data |
| Target | Reverse transcriptase/RNaseH |
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| Ligand | BDBM50074597 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_197263 (CHEMBL804179) |
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| EC50 | 4.6±n/a nM |
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| 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 |
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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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| BDBM50074597 |
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| n/a |
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| Name | BDBM50074597 |
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| Synonyms: | (S)-7-Allyl-5-chloro-8-methyl-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulene-1-thione | CHEMBL172454 | R-86183 |
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| Type | Small organic molecule |
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| Emp. Form. | C14H16ClN3S |
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| Mol. Mass. | 293.815 |
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| SMILES | C[C@H]1Cn2c3c(CN1CC=C)c(Cl)ccc3[nH]c2=S |
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| Structure | 
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