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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Integrase | ||
| Ligand | BDBM50124971 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEBML_90713 | ||
| IC50 | 4000±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: |
| ||
| BDBM50124971 | |||
| n/a | |||
| Name | BDBM50124971 | ||
| Synonyms: | (2R,3S)-5,6,8,5',6',8'-Hexahydroxy-2,3,2',3'-tetramethyl-2,3-dihydro-[9,9']bi[benzo[g]chromenyl]-4,4'-dione | CHEMBL349925 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C30H24O10 | ||
| Mol. Mass. | 544.5056 | ||
| SMILES | C[C@H]1Oc2cc3c(c(O)cc(O)c3c(O)c2C(=O)[C@H]1C)-c1c(O)cc(O)c2c(O)c3c(cc12)oc(C)c(C)c3=O |wU:18.21,1.0,(7.61,-9.78,;6.28,-9.01,;4.93,-9.81,;3.6,-9.04,;2.27,-9.81,;.93,-9.04,;-.41,-9.83,;-1.74,-9.06,;-3.07,-9.81,;-1.74,-7.52,;-.41,-6.73,;-.41,-5.21,;.93,-7.5,;2.25,-6.73,;2.25,-5.19,;3.59,-7.5,;4.92,-6.7,;4.91,-5.16,;6.26,-7.47,;7.59,-6.68,;-.4,-11.35,;-1.74,-12.12,;-3.07,-11.37,;-1.73,-13.66,;-.39,-14.43,;-.39,-15.97,;.94,-13.66,;2.27,-14.4,;2.27,-15.94,;3.58,-13.63,;3.58,-12.09,;2.25,-11.35,;.93,-12.12,;4.88,-11.32,;6.23,-12.07,;7.54,-11.3,;6.24,-13.61,;7.58,-14.38,;4.91,-14.4,;4.91,-15.94,)| | ||
| Structure | 
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