Reaction Details | |||
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Target | Integrase | ||
Ligand | BDBM50124966 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_90713 (CHEMBL702112) | ||
IC50 | 3000±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: |
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BDBM50124966 | |||
n/a | |||
Name | BDBM50124966 | ||
Synonyms: | (8R,9R)-2,4,5-Trihydroxy-8,9-dimethyl-1-((2S,3R)-5,6,8-trihydroxy-2,3-dimethyl-4-oxo-3,4-dihydro-2H-benzo[g]chromen-9-yl)-8,9-dihydro-6,10-dioxa-cyclohepta[b]naphthalen-7-one | CHEMBL159546 | ||
Type | Small organic molecule | ||
Emp. Form. | C30H26O11 | ||
Mol. Mass. | 562.5208 | ||
SMILES | C[C@@H]1Oc2cc3c(c(O)cc(O)c3c(O)c2C(=O)[C@@H]1C)-c1c(O)cc(O)c2c(O)c3OC(=O)[C@H](C)[C@@H](C)Oc3cc12 |wU:18.21,35.38,1.0,wD:33.36,(12.23,-.68,;10.88,-1.45,;9.55,-.68,;8.22,-1.45,;6.88,-.68,;5.55,-1.45,;4.21,-.68,;2.88,-1.45,;1.54,-.68,;2.88,-3.01,;4.21,-3.78,;4.21,-5.32,;5.55,-3.01,;6.88,-3.78,;6.88,-5.32,;8.22,-3.01,;9.55,-3.78,;9.55,-5.32,;10.88,-3.01,;12.23,-3.79,;4.21,.86,;2.88,1.63,;1.54,.84,;2.88,3.17,;4.21,3.94,;4.21,5.48,;5.55,3.17,;6.88,3.94,;6.88,5.48,;8.22,3.17,;9.41,4.12,;10.9,3.78,;11.86,4.99,;11.58,2.4,;13.12,2.42,;10.9,1.02,;11.88,-.22,;9.41,.67,;8.22,1.63,;6.88,.86,;5.55,1.63,)| | ||
Structure |