Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50124966
Substrate
n/a
Meas. Tech.
ChEBML_90713
IC50
9000±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 Lett 13:713-7 (2003) [PubMed]  Article 
Target
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:
FLDGIDKAQDEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTIHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVVESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPLWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKVKIIRDYGKQMAGDDCVASRQDED
  
Inhibitor
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:
Search PDB for entries with ligand similarity: