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TargetIntegrase
LigandBDBM50056933
Substrate/Competitorn/a
Meas. Tech.ChEMBL_90891 (CHEMBL701791)
IC50 4900±n/a nM
Citation Neamati, NHong, HMazumder, AWang, SSunder, SNicklaus, MCMilne, GWProksa, BPommier, Y Depsides and depsidones as inhibitors of HIV-1 integrase: discovery of novel inhibitors through 3D database searching. J Med Chem40:942-51 (1997) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Integrase
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:
FLDGIDKAQDEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGI
WQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTIHTDNGSN
FTSTTVKAACWWAGIKQEFGIPYNPQSQGVVESMNKELKKIIGQVRDQAEHLKTAVQMAV
FIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPLWKGPAK
LLWKGEGAVVIQDNSDIKVVPRRKVKIIRDYGKQMAGDDCVASRQDED
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  Blast E-value cutoff:
BDBM50056933
n/a
NameBDBM50056933
Synonyms:(E)-But-2-enedioic acid mono-(7-carboxy-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-9-ylmethyl) ester | CHEMBL366861 | NSC-685588 | fumarprotocetraric acid
TypeSmall organic molecule
Emp. Form.C22H16O12
Mol. Mass.472.3552
SMILESCc1cc(O)c(C=O)c2Oc3c(C)c(C(O)=O)c(O)c(COC(=O)\C=C\C(O)=O)c3OC(=O)c12
Structure
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