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Target
Integrase
Ligand
BDBM50183475
Substrate
n/a
Meas. Tech.
ChEMBL_337041 (CHEMBL862554)
IC50
18000±n/a nM
Citation
 Deng, J; Sanchez, T; Neamati, N; Briggs, JM Dynamic pharmacophore model optimization: identification of novel HIV-1 integrase inhibitors. J Med Chem 49:1684-92 (2006) [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:
BDBM50183475
Synonyms:
5-(3-Amino-propylamino)-7,10-dihydroxy-2-[2-(2-hydroxy-ethylamino)-ethyl]-2H-dibenzo[cd,g]indazol-6-one | CHEMBL203666 | Piroxantrone hydrochloride
Type:
Small organic molecule
Emp. Form.:
C21H25N5O4
Mol. Mass.:
411.4543
SMILES:
NCCCNc1ccc2n(CCNCCO)nc3-c4c(O)ccc(O)c4C(=O)c1c23
Structure:
Search PDB for entries with ligand similarity: