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TargetIntegrase
LigandBDBM25351
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1473839 (CHEMBL3418916)
IC50 7.0±n/a nM
Citation Cuzzucoli Crucitti, GMétifiot, MPescatori, LMessore, AMadia, VNPupo, GSaccoliti, FScipione, LTortorella, SEsposito, FCorona, ACadeddu, MMarchand, CPommier, YTramontano, ECosti, RDi 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 Chem58:1915-28 (2015) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Integrase
Name:Integrase
Synonyms:pol
Type:PROTEIN
Mol. Mass.:32203.43
Organism:Human immunodeficiency virus 1
Description:ChEMBL_106649
Residue:288
Sequence:
FLDGIDKAQEEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGI
WQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSN
FTSTTVKAACWWAGIKQEFGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAVQMAV
FIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPVWKGPAK
LLWKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCVASRQDED
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM25351
n/a
NameBDBM25351
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
TypeSmall organic molecule
Emp. Form.C20H21FN6O5
Mol. Mass.444.4163
SMILESCc1nnc(o1)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
Structure
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