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Target
Integrase
Ligand
BDBM25351
Substrate
n/a
Meas. Tech.
ChEMBL_1473839 (CHEMBL3418916)
IC50
7.0±n/a nM
Citation
 Cuzzucoli Crucitti, G; Métifiot, M; Pescatori, L; Messore, A; Madia, VN; Pupo, G; Saccoliti, F; Scipione, L; Tortorella, S; Esposito, F; Corona, A; Cadeddu, M; Marchand, C; Pommier, Y; Tramontano, E; Costi, R; Di Santo, R Structure-activity relationship of pyrrolyl diketo acid derivatives as dual inhibitors of HIV-1 integrase and reverse transcriptase ribonuclease H domain. J Med Chem 58:1915-28 (2015) [PubMed]  Article 
Target
Name:
Integrase
Synonyms:
pol
Type:
PROTEIN
Mol. Mass.:
32203.43
Organism:
Human immunodeficiency virus 1
Description:
ChEMBL_106649
Residue:
288
Sequence:
FLDGIDKAQEEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPVWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCVASRQDED
  
Inhibitor
Name:
BDBM25351
Synonyms:
N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide | Raltegravir
Type:
Small organic molecule
Emp. Form.:
C20H21FN6O5
Mol. Mass.:
444.4163
SMILES:
Cc1nnc(o1)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
Structure:
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