Reaction Details |
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Target | Reverse transcriptase/RNaseH |
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Ligand | BDBM1577 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_195341 (CHEMBL802583) |
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IC50 | 3000±n/a nM |
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Citation | Rizzo, RC; Tirado-Rives, J; Jorgensen, WL Estimation of binding affinities for HEPT and nevirapine analogues with HIV-1 reverse transcriptase via Monte Carlo simulations. J Med Chem44:145-54 (2001) [PubMed] |
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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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BDBM1577 |
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n/a |
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Name | BDBM1577 |
Synonyms: | 2-cyclopropyl-7-(hydroxymethyl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one | CHEMBL39343 | Nevirapin 4-substituted deriv. 2 |
Type | Small organic molecule |
Emp. Form. | C15H14N4O2 |
Mol. Mass. | 282.2973 |
SMILES | OCc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12 |
Structure |
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