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Target
Integrase
Ligand
BDBM50056880
Substrate
n/a
Meas. Tech.
ChEMBL_90881 (CHEMBL699313)
IC50
124000±n/a nM
Citation
 Hong, H; Neamati, N; Wang, S; Nicklaus, MC; Mazumder, A; Zhao, H; Burke, TR; Pommier, Y; Milne, GW Discovery of HIV-1 integrase inhibitors by pharmacophore searching. J Med Chem 40:930-6 (1997) [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:
BDBM50056880
Synonyms:
(R)-2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-3-methyl-6-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-chroman-4-one | CHEMBL172072 | NSC-626436
Type:
Small organic molecule
Emp. Form.:
C22H24O11
Mol. Mass.:
464.4194
SMILES:
C[C@@H]1C(Oc2cc(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c2C1=O)c1ccc(O)c(O)c1
Structure:
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