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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Integrase | ||
| Ligand | BDBM50124968 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_90713 (CHEMBL702112) | ||
| IC50 | 50000±n/a nM | ||
| Citation |  Singh, SB; Zink, DL; Bills, GF; Teran, A; Silverman, KC; Lingham, RB; Felock, P; Hazuda, DJ Four novel bis-(naphtho-gamma-pyrones) isolated from Fusarium species as inhibitors of HIV-1 integrase. Bioorg Med Chem Lett13:713-7 (2003) [PubMed] | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Integrase | |||
| Name: | Integrase | ||
| Synonyms: | Human immunodeficiency virus type 1 integrase | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 32231.48 | ||
| Organism: | Human immunodeficiency virus 1 | ||
| Description: | ChEMBL_90865 | ||
| Residue: | 288 | ||
| Sequence: |
| ||
| BDBM50124968 | |||
| n/a | |||
| Name | BDBM50124968 | ||
| Synonyms: | Acetic acid 6,8,5',6',8'-pentaacetoxy-2,3,2',3'-tetramethyl-4,4'-dioxo-3,4,3',4'-tetrahydro-2H,2'H-[9,9']bi[benzo[g]chromenyl]-5-yl ester | CHEMBL349452 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C42H38O16 | ||
| Mol. Mass. | 798.7415 | ||
| SMILES | CC1Oc2cc3c(c(OC(C)=O)cc(OC(C)=O)c3c(OC(C)=O)c2C(=O)C1C)-c1c(OC(C)=O)cc(OC(C)=O)c2c(OC(C)=O)c3C(=O)C(C)C(C)Oc3cc12 |(8.26,-9.9,;6.91,-9.15,;5.58,-9.92,;4.25,-9.15,;2.92,-9.94,;1.57,-9.17,;.23,-9.95,;-1.1,-9.18,;-2.43,-9.94,;-3.92,-9.53,;-5.03,-10.62,;-4.32,-8.03,;-1.1,-7.63,;.23,-6.86,;.23,-5.33,;-1.1,-4.56,;-2.43,-5.33,;-1.1,-3.02,;1.57,-7.63,;2.89,-6.84,;2.89,-5.3,;3.29,-3.81,;2.19,-2.71,;4.78,-3.39,;4.23,-7.61,;5.56,-6.84,;5.55,-5.3,;6.91,-7.59,;8.24,-6.8,;.24,-11.48,;-1.1,-12.25,;-2.43,-11.49,;-3.52,-12.58,;-3.13,-14.07,;-5.02,-12.16,;-1.09,-13.79,;.26,-14.56,;.26,-16.08,;-.84,-17.18,;-.46,-18.67,;-2.33,-16.76,;1.59,-13.77,;2.92,-14.54,;2.92,-16.06,;2.92,-17.6,;1.57,-18.37,;4.23,-18.37,;4.21,-13.75,;5.55,-14.52,;5.55,-16.06,;6.88,-13.74,;8.22,-14.5,;6.87,-12.2,;8.19,-11.42,;5.53,-11.44,;4.21,-12.23,;2.89,-11.46,;1.57,-12.23,)| | ||
| Structure | 
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